data_1wfg_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 1wfg _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 ' 14' ' ' HIS . . . . . 0.463 ' N ' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -45.1 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 23.5 t -102.11 133.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.79 125.91 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 90.2 m95 -118.14 108.71 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -132.94 150.56 75.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' N ' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 160.96 39.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -77.21 -177.51 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.22 -43.65 64.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -73.25 -65.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.23 -34.11 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.17 -20.01 16.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -110.56 152.09 26.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -121.17 120.56 35.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.78 106.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.519 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -98.4 127.19 9.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.03 117.6 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.456 ' CD1' HD22 ' A' ' 84' ' ' LEU . 4.0 mp -111.37 151.87 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' N ' ' A' ' 33' ' ' LEU . 2.3 tm? -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 81' ' ' VAL . 4.1 mt -135.48 144.67 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -119.33 168.42 10.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ARG . 10.9 mttp -135.61 -46.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.1 mtm180 -37.73 110.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -49.07 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -46.63 47.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.82 -36.18 64.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 31.81 2.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.092 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.9 m -133.73 132.25 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.8 137.72 82.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -174.95 2.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -63.24 -21.2 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER 161.75 108.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -106.86 48.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.82 85.37 1.33 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -52.4 -38.68 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -89.85 11.46 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER 68.8 -62.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.89 -30.63 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -97.07 149.2 22.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -100.04 136.55 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.9 t -121.02 132.88 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 70' ' ' THR . 2.9 t -118.56 112.68 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.68 -173.79 28.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 58.76 14.93 24.79 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.84 128.22 35.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.445 ' CE ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -80.93 116.66 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.0 p -83.55 -167.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.95 -4.01 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.43 1.27 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' CE ' ' A' ' 59' ' ' MET . . . 80.18 9.01 87.08 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.33 168.03 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.48 148.11 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.4 m -161.62 145.93 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.07 132.12 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -132.34 148.83 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 86' ' ' PRO . 68.0 mt -71.66 124.92 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 73.3 p -91.28 -44.49 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -152.57 152.96 32.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.541 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 16.7 t -131.67 118.37 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -57.29 144.47 35.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -93.82 104.27 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.81 43.35 2.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.41 171.28 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.96 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.3 mm? -41.68 -70.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.541 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.64 68.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.3 t70 176.38 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.2 p -87.56 -38.35 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.391 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 33' ' ' LEU . 7.0 m -104.8 -39.38 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.55 -41.72 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 68.95 13.19 8.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 31' ' ' ILE . 27.1 mt -55.9 164.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -153.38 162.58 26.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 115.84 4.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.33 -7.55 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.44 164.16 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 55.7 tt0 -121.38 113.84 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.86 101.08 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 122' ' ' VAL . 1.1 mm? -66.82 -59.05 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -124.21 166.64 15.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.575 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 10.3 t-105 -145.24 103.88 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 93' ' ' TRP . 7.4 m-20 63.03 16.56 9.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.29 -3.55 33.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -92.8 112.23 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.31 130.07 41.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -98.24 -20.22 17.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.234 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -54.44 106.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.6 -30.41 9.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.95 142.32 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -76.53 171.27 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.41 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 58.1 t80 -55.05 -37.09 66.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -75.51 -48.13 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.27 -53.34 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.46 -51.28 58.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -58.1 -47.76 82.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -48.7 -52.74 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.449 ' C ' ' N ' ' A' ' 111' ' ' LEU . 9.1 mt -45.42 -74.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.575 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.2 mt -39.61 -30.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.449 ' N ' ' C ' ' A' ' 109' ' ' ILE . 0.8 OUTLIER -72.59 -58.52 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.33 -15.0 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -121.66 23.92 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.579 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -77.63 -48.32 2.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.01 -18.05 19.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.91 152.79 0.53 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -40.29 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -127.46 169.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.465 HG13 ' CZ2' ' A' ' 93' ' ' TRP . 39.2 t -144.11 113.31 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -104.26 108.72 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.557 HD13 ' CE3' ' A' ' 93' ' ' TRP . 1.3 mp -94.87 165.18 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 91' ' ' LEU . 23.2 t -147.47 110.67 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.1 p -109.44 163.31 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.466 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 19.8 m -150.1 111.99 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.21 154.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.17 133.95 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.07 126.82 12.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.7 m95 -122.33 109.13 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.961 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.487 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.62 153.22 74.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 162.21 37.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -65.09 176.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.35 -53.46 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.59 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.82 -46.53 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.96 142.23 28.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -106.24 104.71 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 HD13 ' N ' ' A' ' 28' ' ' ILE . 4.8 mm -86.09 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -127.06 145.16 15.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.46 145.97 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.48 ' CD1' HD21 ' A' ' 84' ' ' LEU . 3.5 mp -139.61 108.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tp -103.94 116.66 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -99.58 142.29 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.15 119.44 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -7.71 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -49.91 117.96 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.6 mt -48.0 173.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -98.7 29.96 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.94 59.19 5.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -154.21 126.06 7.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 86.9 t -82.21 134.08 49.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.04 171.03 19.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.2 -36.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.38 105.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -55.62 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.22 75.0 0.1 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -51.42 -41.91 61.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.65 7.63 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER 68.16 -64.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 171.99 -36.85 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -96.62 162.46 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.23 124.37 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.95 136.49 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.416 HG21 ' CG2' ' A' ' 70' ' ' THR . 2.5 t -122.78 112.72 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -104.59 -175.85 24.96 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 65.81 8.85 43.16 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 123.62 21.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.3 tpt -80.89 109.61 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.3 p -71.01 -165.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.41 1.95 56.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.18 5.03 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.45 11.31 85.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.48 169.64 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -113.83 145.44 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -157.55 144.9 18.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.55 126.38 38.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -126.36 145.21 50.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 97.4 mt -71.47 128.31 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.416 ' CG2' HG21 ' A' ' 55' ' ' VAL . 61.1 p -92.98 -54.23 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.437 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -145.13 155.55 43.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 63.4 t -129.5 120.1 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 14.8 tptt -60.58 131.99 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.75 104.49 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.59 39.65 2.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 t -131.05 167.69 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.0 mm? -40.78 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.514 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -71.44 62.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 73' ' ' LYS . 9.4 t0 177.48 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.4 p -82.3 -34.73 28.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.454 ' CG2' HD13 ' A' ' 33' ' ' LEU . 6.1 m -112.38 -41.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.61 -36.4 19.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 61.0 15.01 5.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.615 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 31' ' ' ILE . 11.8 mt -49.6 171.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.25 155.04 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.451 ' HA ' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.05 112.85 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.21 -10.25 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.22 -178.23 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 34.8 tt0 -136.59 113.38 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -77.78 100.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -64.99 -59.25 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -120.28 167.5 12.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.604 ' CE3' ' CD1' ' A' ' 121' ' ' LEU . 14.3 t-105 -149.64 105.7 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 93' ' ' TRP . 11.3 m-20 63.21 16.08 9.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.91 45.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -102.79 112.66 25.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.96 132.12 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 109' ' ' ILE . 30.9 mt -100.43 -20.48 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -53.64 107.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 99.61 -39.1 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.55 145.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.1 p -78.18 178.18 7.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.419 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 74.8 t80 -62.73 -40.87 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.24 -40.11 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.39 -64.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.6 t -44.54 -47.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -62.35 -61.82 2.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -40.75 -49.38 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 98' ' ' LEU . 97.2 mt -48.05 -65.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -50.85 -38.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.7 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.03 -11.97 60.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -123.64 24.7 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.534 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 6.8 mttt -72.49 -50.85 7.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.05 -21.69 15.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.88 146.57 0.31 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 -34.98 3.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -131.41 173.94 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 121' ' ' LEU . 60.6 t -150.15 126.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -113.0 110.01 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.604 ' CD1' ' CE3' ' A' ' 93' ' ' TRP . 3.5 mp -98.85 162.14 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 91' ' ' LEU . 31.2 t -147.79 107.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 1.3 p -108.07 159.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.2 m -126.28 141.51 51.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.04 162.95 22.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.12 146.9 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.416 ' HB ' ' NE2' ' A' ' 19' ' ' GLN . 0.5 OUTLIER -152.04 123.46 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 89.3 m95 -107.75 109.56 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.416 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 2.7 mp0 -134.54 148.98 69.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.8 39.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 p -76.68 179.17 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -53.44 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -65.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.33 -32.36 2.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -29.76 16.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -102.24 153.01 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.5 114.76 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 mm -92.4 116.72 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -107.3 137.73 14.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -118.84 141.61 48.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CD1' HD22 ' A' ' 84' ' ' LEU . 2.8 mp -140.43 109.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 tp -104.46 114.98 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CB ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -96.86 135.05 39.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -127.99 113.62 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -84.53 -33.93 23.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -41.52 111.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.27 172.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -45.32 62.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -38.93 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.42 48.13 0.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -153.52 130.95 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 69.5 t -64.28 133.24 95.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.99 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.783 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -39.04 -37.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.11 -47.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 71.71 34.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.6 91.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.28 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.19 12.36 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER 69.06 -61.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 165.24 -28.4 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD2' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -97.47 169.97 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 119.82 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.45 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 86.9 t -102.6 139.38 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 70' ' ' THR . 3.2 t -122.7 112.47 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 -174.37 33.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 61.06 13.02 32.67 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 127.27 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.435 ' SD ' ' CD2' ' A' ' 65' ' ' LEU . 1.6 tpt -90.2 104.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.1 p -70.66 -161.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -2.85 51.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.71 8.1 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.3 10.74 79.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -91.58 154.96 18.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CD2' ' SD ' ' A' ' 59' ' ' MET . 37.2 mt -112.23 136.95 51.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.7 t -161.99 147.29 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.16 131.95 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 56.2 m-85 -126.5 141.33 51.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.441 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 77.2 mt -61.93 130.94 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.472 HG22 ' CG2' ' A' ' 55' ' ' VAL . 11.9 p -103.49 -47.56 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -149.95 145.74 26.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.581 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -139.02 107.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -53.82 145.22 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 107.07 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.474 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.45 21.38 5.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 80' ' ' THR . 80.7 p -116.71 167.4 11.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -42.25 -61.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -74.63 58.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 8.8 t70 178.66 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.474 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 40.3 p -80.62 -33.73 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.456 ' CG2' HD12 ' A' ' 33' ' ' LEU . 7.4 m -115.91 -39.72 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.38 -25.31 54.83 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 80' ' ' THR . 94.6 m-70 40.33 40.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.48 HD12 ' CD2' ' A' ' 52' ' ' LEU . 5.4 mt -74.15 -171.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -156.46 147.73 16.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.581 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.99 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.23 -18.0 1.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -171.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' HD22 ' A' ' 91' ' ' LEU . 27.5 tt0 -136.68 108.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 p -77.84 99.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -63.11 -59.66 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -117.15 168.0 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.555 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 9.8 t-105 -147.67 93.2 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 1.8 t30 77.97 18.56 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.69 -2.99 52.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 113.39 25.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.16 133.45 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 mt -97.96 -23.35 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.59 115.78 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.98 -27.83 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.44 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.9 p -85.61 170.8 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.9 -46.07 42.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.55 -54.87 25.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -48.1 -58.31 4.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.7 t -50.62 -48.05 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.49 -54.94 36.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -43.6 -49.26 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 52.7 mt -46.82 -74.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.2 mt -40.63 -33.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -68.24 -57.32 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.97 -16.88 13.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -125.34 24.79 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.474 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -74.47 -54.17 3.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -11.92 21.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.447 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.44 150.3 0.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -33.53 4.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -138.39 165.93 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG11 ' CD1' ' A' ' 121' ' ' LEU . 37.9 t -147.43 118.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -98.99 102.6 14.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.554 HD11 ' CE3' ' A' ' 93' ' ' TRP . 7.1 mp -87.76 161.67 17.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 91' ' ' LEU . 37.6 t -148.16 109.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.7 OUTLIER -106.96 161.59 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.446 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 11.8 m -145.19 119.8 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.84 159.32 32.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p80 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.28 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.85 151.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.74 127.24 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.57 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 93.5 m95 -112.89 109.39 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.97 148.74 64.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.75 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 p -72.39 178.85 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.937 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -50.86 23.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -68.72 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 -18.31 4.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.97 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -105.58 163.57 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.67 107.53 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' GLN . 6.4 mm -81.22 117.27 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.3 133.37 11.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -118.74 129.92 55.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 84' ' ' LEU . 3.0 mp -125.84 111.57 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' CA ' ' A' ' 120' ' ' GLU . 3.0 tm? -107.05 137.79 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 ' CB ' HD11 ' A' ' 50' ' ' LEU . 1.1 mm? -120.68 145.4 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -132.77 108.15 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.25 -1.17 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -57.21 125.55 23.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -52.45 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -75.76 -16.39 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -101.57 28.98 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.41 70.61 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 p -172.43 124.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 74.8 t -80.76 137.56 50.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.38 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.4 -43.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -162.88 104.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -72.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.02 63.86 0.41 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -57.07 -39.5 75.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -91.65 5.04 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? 67.15 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.89 41.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 54' ' ' VAL . 1.9 pp -157.63 174.18 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.73 131.73 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG11 ' CG1' ' A' ' 90' ' ' VAL . 97.6 t -121.42 135.31 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 t -112.04 112.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.39 160.08 14.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.92 5.44 50.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 122.29 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.55 117.25 16.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.507 ' CG2' ' SG ' ' A' ' 66' ' ' CYS . 5.2 p -83.09 -172.1 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -88.22 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.24 10.81 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.39 71.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -120.47 171.79 8.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.344 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.3 mt -105.98 153.79 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.623 ' SG ' ' CE2' ' A' ' 68' ' ' PHE . 7.4 p -149.82 166.32 29.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.7 126.08 42.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.623 ' CE2' ' SG ' ' A' ' 66' ' ' CYS . 51.3 m-85 -123.39 148.9 45.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 96.0 mt -72.53 135.08 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 p -107.78 -43.07 4.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.73 149.07 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -142.88 113.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -53.3 133.75 39.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 105.57 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.78 21.76 4.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.0 m -116.99 171.91 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.466 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -44.32 -61.91 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -74.98 60.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 177.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.601 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.8 p -79.7 -37.31 35.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 5.6 m -109.99 -40.4 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.91 -38.15 20.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 80' ' ' THR . 73.1 m-70 56.16 41.59 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.58 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 31' ' ' ILE . 1.3 mt -76.51 -177.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -153.14 151.32 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.563 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.96 98.68 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.98 -20.59 0.87 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 178.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 51.4 tt0 -130.18 101.5 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.478 ' CG1' HG11 ' A' ' 54' ' ' VAL . 2.6 p -75.32 101.44 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 122' ' ' VAL . 49.4 mt -62.44 -59.38 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.573 ' CE3' HD21 ' A' ' 121' ' ' LEU . 11.1 t-105 -139.91 93.26 2.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 120' ' ' GLU . 3.7 t-20 75.9 21.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.2 -12.92 44.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -87.29 112.61 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 132.81 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 109' ' ' ILE . 28.3 mt -95.54 -24.0 16.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.0 116.2 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.33 -30.48 9.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.26 142.87 58.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.0 p -81.89 166.95 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -42.04 -51.05 4.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.33 -58.07 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.91 -46.6 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.77 -43.43 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -69.44 -58.12 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' GLU . 23.1 m-80 -40.87 -33.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 98' ' ' LEU . 61.6 mt -64.89 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.556 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -55.1 -38.37 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.19 -35.32 73.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -71.74 -23.58 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.5 p -96.71 24.66 5.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -66.91 -51.35 38.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.03 -25.93 11.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 118' ' ' GLN . 0.8 OUTLIER -38.81 139.89 0.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.437 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 -29.33 8.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 116' ' ' GLU . 3.5 pt20 -141.07 177.17 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.8 t -150.72 104.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 94' ' ' ASN . 12.1 tt0 -94.07 106.46 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.573 HD21 ' CE3' ' A' ' 93' ' ' TRP . 8.6 mt -85.45 163.64 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.8 t -147.55 100.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.4 p -105.17 163.45 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.447 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 8.4 t -148.21 114.23 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.11 27.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.37 8.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.53 145.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -147.9 122.24 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 96.1 m95 -108.09 109.41 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.9 mp0 -131.86 147.36 65.64 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.41 42.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -72.14 -177.42 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -53.2 -49.35 66.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.19 -57.09 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -31.34 4.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -54.0 -26.37 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -106.42 149.12 27.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.65 116.04 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' GLN . 9.9 mm -96.21 118.11 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -112.07 124.2 6.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.54 108.94 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' CD1' HD21 ' A' ' 84' ' ' LEU . 4.2 mp -101.15 151.61 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -141.08 138.34 33.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 50' ' ' LEU . 3.3 mt -132.55 145.14 50.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -116.82 166.97 11.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.4 mtpm? -134.35 -46.64 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 35' ' ' LYS . 31.0 mtt180 -34.47 114.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.28 -171.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -46.69 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -43.49 67.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.21 0.5 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -158.35 141.75 15.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.9 t -82.47 132.67 51.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.21 2.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.49 -36.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.8 93.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.96 51.33 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.11 75.22 0.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -48.77 -42.08 34.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -59.32 -14.11 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 33' ' ' LEU . 1.3 mp 69.37 -61.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 152.89 47.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -157.08 162.06 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.74 146.84 48.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.48 ' CG2' HD12 ' A' ' 52' ' ' LEU . 42.8 t -136.88 143.69 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 70' ' ' THR . 2.5 t -123.75 112.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.42 -175.44 29.96 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 16.71 61.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -74.83 118.51 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 tpt -81.36 112.64 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.2 p -79.06 -160.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.3 -0.13 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.32 11.49 20.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.92 14.19 70.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -96.89 160.97 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.8 mt -115.12 136.46 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -152.95 147.8 26.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 108.352 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 150.1 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 80.5 m-85 -143.43 146.23 33.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 91.3 mt -72.41 131.95 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.474 HG23 ' CG2' ' A' ' 55' ' ' VAL . 48.1 p -105.05 -42.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -149.87 152.86 35.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 59.3 t -130.3 132.98 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -64.96 126.2 27.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 106.84 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.63 49.43 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.05 -177.01 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.5 mm? -51.84 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.521 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.67 67.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.2 t70 177.16 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.8 p -83.6 -41.54 17.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 110.445 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.473 HG22 ' CD2' ' A' ' 33' ' ' LEU . 11.8 m -102.53 -37.24 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.1 -42.13 12.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 67.64 14.38 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.537 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD21 ' CD1' ' A' ' 31' ' ' ILE . 4.4 mt -58.76 171.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.28 156.4 31.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.59 -33.43 0.63 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.473 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 1.1 m-20 -60.37 -179.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 35.8 tt0 -136.8 101.36 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.405 ' O ' HG11 ' A' ' 90' ' ' VAL . 7.7 p -71.71 121.47 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.27 -55.6 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -114.15 156.93 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.654 ' CE3' ' CD2' ' A' ' 121' ' ' LEU . 24.3 t-105 -137.77 97.12 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.78 24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.38 -13.58 56.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.468 ' CB ' HG22 ' A' ' 109' ' ' ILE . 2.8 mmt-85 -83.77 117.81 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 133.39 45.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' HD13 ' A' ' 109' ' ' ILE . 27.9 mt -99.39 -22.28 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -55.41 120.11 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.16 -31.27 6.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.78 148.37 25.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -87.31 172.06 10.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.43 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -48.65 -44.02 37.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' TYR . 2.1 mt-10 -65.96 -62.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.58 -56.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.05 -45.95 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLU . 1.6 t80 -64.04 -57.01 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -42.7 -48.38 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.468 HG22 ' CB ' ' A' ' 96' ' ' ARG . 55.9 mt -48.34 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.518 HG12 ' CE2' ' A' ' 93' ' ' TRP . 5.5 mt -41.83 -28.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -71.57 -63.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.01 -25.51 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -91.91 25.61 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.054 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 1.9 mtpt -71.31 -49.92 11.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -21.04 16.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.4 135.53 1.91 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.53 9.05 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.8 pt20 -132.54 173.08 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' LEU . 3.1 t -145.25 103.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.42 121.17 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.654 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 9.5 mt -107.14 164.96 11.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -147.82 105.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -107.39 146.11 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -130.61 106.01 8.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -109.24 150.15 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -39.71 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.1 t -106.5 133.41 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.92 123.0 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -111.11 109.32 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -136.3 151.06 72.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 158.8 42.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -173.93 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.59 51.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.45 -64.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.2 -41.21 1.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -50.91 -30.6 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -97.69 149.17 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.74 123.57 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.5 mm -104.7 105.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.01 126.2 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.71 112.76 25.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 121' ' ' LEU . 3.5 mp -110.35 146.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.82 135.53 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 50' ' ' LEU . 2.8 mt -124.59 142.34 51.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -131.16 141.26 50.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -33.86 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -38.5 112.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD13 ' CA ' ' A' ' 43' ' ' PRO . 5.9 mt -64.92 -176.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -34.26 49.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.94 -37.51 61.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' HA3' ' CZ ' ' A' ' 36' ' ' ARG . . . 88.58 50.42 3.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' VAL . 3.9 m -130.67 7.09 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.5 t 61.12 132.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' CA ' HD13 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.96 -169.14 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' PRO . 19.3 mtm-85 -38.41 -40.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.89 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.25 44.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.9 98.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -51.38 -38.74 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -87.27 18.88 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER 69.28 -60.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 173.35 -32.48 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.577 1.173 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.54 171.88 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -119.19 126.25 51.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.28 146.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.9 t -131.2 112.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.43 -171.44 32.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 11.63 43.05 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.54 120.46 17.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.65 109.99 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -75.37 -166.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.13 -11.68 40.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.38 -6.67 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 7.49 73.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -96.18 158.32 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.9 mt -110.74 143.12 41.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.72 152.47 17.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.58 134.31 36.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.558 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 81.8 m-85 -125.04 147.35 49.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.3 mt -69.81 132.61 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 55' ' ' VAL . 30.8 p -103.78 -48.32 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.81 153.46 38.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.545 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 13.2 t -130.44 107.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.4 tptt -54.93 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.56 106.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.56 17.21 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -116.33 -176.47 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ASP . 6.0 mt -54.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.545 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -70.44 57.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' CG1' ' A' ' 72' ' ' VAL . 2.5 m-20 -162.3 -64.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 12.1 p -84.87 -23.07 29.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 t -106.42 -39.35 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.74 -47.78 5.78 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 80' ' ' THR . 59.1 m-70 76.86 14.4 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 1.6 mt -64.76 176.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 156.39 32.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.12 -14.6 2.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.35 164.4 24.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 41.7 tt0 -115.34 112.47 22.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.68 98.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -63.75 -59.26 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.58 169.45 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 7.8 t-105 -150.73 92.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.6 t-20 78.75 15.89 1.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.18 -7.49 47.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.48 117.58 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.61 127.35 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.442 ' CD2' ' CD1' ' A' ' 109' ' ' ILE . 17.7 mt -95.36 -15.91 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.71 115.91 5.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.7 -19.18 52.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.48 142.58 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 p -81.61 168.81 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -44.55 -47.84 10.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.86 -58.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -38.79 -52.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.4 t -57.7 -51.93 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.1 t80 -58.72 -47.16 85.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 112' ' ' GLU . 28.0 m-80 -48.94 -41.51 34.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLU . 15.1 mt -58.97 -71.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -47.44 -41.47 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.29 -33.97 77.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.9 mm-40 -77.67 -24.55 49.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -97.61 23.64 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -71.53 -54.21 6.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.05 -17.16 19.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 142.86 20.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.2 4.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.777 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' C ' ' CG2' ' A' ' 119' ' ' VAL . 3.5 pt20 -137.3 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 118' ' ' GLN . 8.1 t -151.5 117.11 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -98.97 103.71 15.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 93' ' ' TRP . 2.8 mp -88.06 162.19 16.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' LEU . 42.9 t -148.33 112.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -109.54 163.7 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 27.9 t -150.46 109.18 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 163.14 14.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.002 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -20.42 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -110.97 140.26 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.34 126.38 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 94.8 m95 -120.74 108.89 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 52.7 mm-40 -136.27 151.12 72.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.416 ' N ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 158.11 42.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -75.95 -177.31 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -49.46 -52.81 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.47 -66.99 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.09 -21.2 4.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.5 -6.94 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -122.8 147.42 46.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.439 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -113.37 135.92 53.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -112.91 100.84 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -93.73 126.42 8.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.83 117.26 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 84' ' ' LEU . 4.3 mp -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 15' ' ' PRO . 3.0 tm? -140.34 142.68 35.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 50' ' ' LEU . 5.0 mt -136.95 145.04 43.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -140.84 141.59 34.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -111.07 -22.77 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' LYS . 75.4 mtm180 -38.34 104.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.84 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.2 74.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.66 50.39 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 4.8 m -133.54 8.91 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.9 t 61.42 134.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' ARG . 18.5 Cg_endo -75.0 -177.34 3.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.59 -46.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.71 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t 65.43 74.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.76 95.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.446 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -56.4 -38.41 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -86.74 16.72 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.953 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER 69.32 -60.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 169.67 -30.47 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -96.65 163.14 13.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.52 131.44 55.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 52' ' ' LEU . 59.4 t -115.19 145.94 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -130.03 112.88 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.59 -177.88 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.21 10.64 62.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.3 ttpt -69.6 118.89 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 tpt -81.47 110.6 17.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 80.8 p -77.35 -172.73 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.37 -20.03 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.23 12.66 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.88 21.67 71.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 155.77 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.3 135.83 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -159.83 152.73 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . . . -91.66 132.01 36.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 68.2 m-85 -126.46 138.31 53.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.75 130.66 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.8 p -104.44 -40.94 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.04 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 14.8 t -141.45 113.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -56.54 113.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -68.97 102.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.48 42.66 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.24 171.42 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.0 mt -40.75 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.534 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.54 69.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 176.21 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.2 p -82.8 -39.58 21.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 15.4 m -103.32 -37.86 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.48 -44.24 11.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 80' ' ' THR . 89.9 m-70 68.63 18.06 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 109.641 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 31' ' ' ILE . 4.8 mt -62.49 171.44 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.35 153.94 31.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.65 -10.84 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.01 176.41 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.3 tt0 -128.59 113.9 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 67' ' ' ALA . 2.6 p -81.23 98.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -61.43 -60.6 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' OE2' ' CD1' ' A' ' 97' ' ' LEU . 2.6 mp0 -115.6 171.79 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.442 ' CE3' HD23 ' A' ' 121' ' ' LEU . 9.3 t-105 -150.29 92.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 107.98 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.422 ' ND2' ' CD ' ' A' ' 116' ' ' GLU . 1.4 t-20 73.93 18.36 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.87 -7.47 41.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.435 ' CD ' HG12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -88.09 121.02 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.443 ' CD1' ' OE2' ' A' ' 92' ' ' GLU . 2.6 tp -74.82 126.1 30.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 109' ' ' ILE . 36.2 mt -94.16 -17.36 22.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -60.77 119.34 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.01 7.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.61 143.31 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 p -81.22 171.13 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -47.76 -44.61 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.3 -59.44 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -39.89 -56.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 56.6 t -52.57 -50.3 40.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.38 -54.23 49.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -41.28 -50.75 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 98' ' ' LEU . 10.3 mt -47.98 -70.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.428 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.1 mt -40.48 -31.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -70.49 -62.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.79 -21.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -93.87 24.53 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.549 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -74.4 -49.77 5.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.06 -32.11 5.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.422 ' CD ' ' ND2' ' A' ' 94' ' ' ASN . 3.8 mt-10 -37.85 136.27 0.77 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -33.02 4.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -132.91 172.32 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.4 t -146.67 113.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -99.66 108.54 20.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.442 HD23 ' CE3' ' A' ' 93' ' ' TRP . 6.9 mt -91.53 162.46 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 91' ' ' LEU . 24.4 t -148.49 110.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -109.4 157.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -140.44 107.98 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 159.65 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.99 2.79 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 11.7 t -99.74 139.07 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -153.16 120.49 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.57 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.9 m95 -108.2 108.22 19.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -131.68 150.73 77.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.49 42.65 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -68.16 -172.07 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -67.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.42 -27.73 3.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.23 -32.79 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -100.86 159.28 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -124.49 112.98 17.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' GLN . 26.1 mm -91.17 107.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -102.29 135.36 12.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -118.13 128.91 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.49 109.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tp -107.45 117.46 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CB ' HD11 ' A' ' 50' ' ' LEU . 1.5 mm? -99.99 141.0 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -132.0 111.08 11.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.73 20.06 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -75.25 124.2 26.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -59.05 176.29 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -51.95 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -21.78 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.71 20.84 20.67 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.4 m -120.23 123.13 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 57.4 t -66.36 141.54 97.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.07 177.76 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -34.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 p30 169.97 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 t -85.18 0.67 51.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.8 77.52 0.25 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -52.98 -33.39 51.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.57 8.24 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD11 ' CB ' ' A' ' 33' ' ' LEU . 2.2 mm? 67.38 -69.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.07 41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 1.3 pp -157.51 170.07 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 134.76 53.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.476 ' CG2' HD12 ' A' ' 52' ' ' LEU . 92.2 t -124.71 141.46 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 70' ' ' THR . 2.5 t -119.56 112.67 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.38 33.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.2 10.79 43.04 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -69.4 118.96 12.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.38 109.51 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.4 p -76.16 -162.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.98 -0.91 57.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.91 8.52 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.27 11.25 75.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -94.5 155.57 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.0 mt -113.01 141.14 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 3.0 t -153.97 171.22 19.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.44 126.49 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 32.9 m-85 -123.86 141.08 52.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.9 131.86 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 55' ' ' VAL . 17.8 p -108.24 -21.59 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -163.88 143.69 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.55 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.5 OUTLIER -143.16 107.12 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 9.7 tptt -53.63 92.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.19 108.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.83 11.61 2.87 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.451 ' C ' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -113.57 -167.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.456 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 9.2 mt -61.45 -67.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 84' ' ' LEU . . . -71.32 58.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.505 ' OD2' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -171.99 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.3 p -79.86 -40.3 28.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 33' ' ' LEU . 10.7 m -101.51 -36.98 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.48 -42.19 18.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 98.6 m-70 64.73 38.5 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.475 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 2.6 mt -84.88 -179.93 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -159.4 157.41 26.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.55 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 85.96 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.06 -34.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.138 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.37 -179.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 40.6 tt0 -137.11 101.25 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 54' ' ' VAL . 2.9 p -72.16 115.25 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.2 mt -81.35 -57.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -115.21 162.73 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 121' ' ' LEU . 11.2 t-105 -141.67 95.27 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.11 16.74 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.87 -13.31 32.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -84.68 114.29 21.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 132.64 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 109' ' ' ILE . 25.5 mt -97.21 -23.16 16.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -53.87 116.34 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.83 -33.07 5.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.78 142.84 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.7 p -81.31 172.51 13.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -52.49 -42.37 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -50.57 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -49.43 -61.09 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 72.9 t -45.59 -49.69 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.69 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -43.42 -45.37 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.445 HD13 ' CD2' ' A' ' 98' ' ' LEU . 73.0 mt -51.71 -75.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.48 HG12 ' CE2' ' A' ' 93' ' ' TRP . 6.3 mt -41.57 -28.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 109' ' ' ILE . 0.5 OUTLIER -69.51 -62.03 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.42 -20.03 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.7 p -104.81 26.18 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.7 OUTLIER -70.47 -49.58 15.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -23.96 13.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.23 139.03 0.53 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.466 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.06 -29.32 8.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -138.39 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.543 HG13 ' CZ2' ' A' ' 93' ' ' TRP . 42.0 t -152.89 114.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -96.01 111.25 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.578 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 6.4 mt -95.36 163.36 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.2 t -148.06 104.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.02 144.11 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.9 t -125.06 111.16 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.66 158.54 24.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.03 153.25 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.06 123.42 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.7 m95 -109.74 109.06 19.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -136.33 150.47 70.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 156.93 43.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -70.43 -176.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -51.48 54.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -67.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.97 -27.93 3.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -19.11 10.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 0.733 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -114.41 161.7 17.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -127.01 113.77 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 27' ' ' LEU . 10.2 mm -92.22 114.89 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -104.54 138.05 13.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -125.33 126.34 44.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CD1' HD23 ' A' ' 84' ' ' LEU . 3.4 mp -121.71 117.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -111.6 132.37 54.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 81' ' ' VAL . 1.1 mm? -117.0 144.62 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -122.14 134.45 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -105.97 -44.88 4.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -38.48 115.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.68 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -41.57 90.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -44.36 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 50.53 0.28 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 m -155.53 139.35 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -77.41 128.75 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' ARG . 18.5 Cg_endo -74.93 -176.95 3.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.62 -41.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 t70 178.38 93.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t -78.27 55.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 72.79 0.87 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -51.08 -38.98 54.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -88.44 10.78 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 1.4 mm? 69.78 -59.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 158.21 -22.89 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -96.2 167.01 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.51 119.62 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 45.1 t -103.34 146.55 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.4 t -134.96 112.89 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.03 -172.52 26.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.14 8.87 52.35 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -69.22 118.71 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 tpt -81.56 108.15 14.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.5 p -74.25 -174.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.98 -1.43 43.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.56 10.89 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 14.77 71.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 153.0 17.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -111.76 142.18 44.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.1 t -161.45 164.38 29.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -108.87 133.44 52.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 42.4 m-85 -129.85 143.64 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 85' ' ' ARG . 57.0 mt -63.69 127.93 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.9 p -100.28 -47.23 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 145.63 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -138.33 111.13 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -54.48 150.03 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.0 102.96 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.25 32.13 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' LEU . 58.4 p -125.63 163.21 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.6 mm? -40.59 -58.27 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -75.27 57.84 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.461 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 3.6 t70 177.96 -54.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 55.9 p -71.3 -35.24 71.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 33' ' ' LEU . 11.9 m -115.84 -38.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.62 -32.21 34.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 94.7 m-70 48.29 39.24 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 52' ' ' LEU . 5.9 mt -70.52 -172.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 69' ' ' ILE . 33.7 mmt-85 -157.98 149.57 16.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.559 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.95 94.53 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.62 -20.69 0.71 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.43 -177.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 27.2 tt0 -137.01 102.02 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.7 p -72.83 101.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 122' ' ' VAL . 85.6 mt -66.87 -55.92 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -120.66 165.28 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.587 ' CD1' ' CG2' ' A' ' 109' ' ' ILE . 7.2 t-105 -144.14 103.99 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.471 ' OD1' ' CG1' ' A' ' 119' ' ' VAL . 9.0 m-20 62.43 15.77 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.98 -5.65 34.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -92.27 113.3 25.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.91 131.01 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.5 mt -96.9 -21.97 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -57.89 114.01 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.83 -26.46 20.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.21 143.81 54.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -79.98 170.54 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -50.27 -43.51 53.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.38 -54.1 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -44.98 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.6 t -52.49 -45.89 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.58 -54.97 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -40.41 -47.66 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.587 ' CG2' ' CD1' ' A' ' 93' ' ' TRP . 5.2 mt -50.35 -75.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.578 HG12 ' CH2' ' A' ' 93' ' ' TRP . 3.2 mt -41.25 -28.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 109' ' ' ILE . 0.4 OUTLIER -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' ILE . 2.7 mt-10 -66.12 -8.24 22.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.44 1.48 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.552 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 7.3 mttt -59.09 -49.66 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -33.49 4.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.27 135.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -30.99 6.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -131.11 172.66 11.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.471 ' CG1' ' OD1' ' A' ' 94' ' ' ASN . 13.2 t -148.64 107.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.7 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.2 mt -96.12 163.44 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 91' ' ' LEU . 21.2 t -147.66 102.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 p -111.66 156.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.6 t -113.17 159.71 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.55 156.52 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.98 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -37.59 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.74 149.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.0 124.29 8.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.5 m95 -109.71 108.53 18.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' ILE . 17.5 mm-40 -136.73 149.6 67.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 157.67 43.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.5 p -72.63 -177.06 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -50.11 -52.72 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -73.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.34 -32.53 2.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.8 -21.74 43.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -106.21 158.22 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -124.02 128.33 49.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.2 mm -106.61 112.33 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -105.16 134.17 11.92 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.52 130.0 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CD1' HD21 ' A' ' 84' ' ' LEU . 3.0 mp -126.72 114.61 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -111.42 138.19 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -120.42 145.63 47.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -132.32 131.78 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -29.82 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -39.08 107.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' CA ' ' A' ' 43' ' ' PRO . 6.1 mt -61.76 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.05 -39.63 75.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -35.74 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.66 52.51 3.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -133.76 8.29 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.3 t 61.52 135.0 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.471 ' CA ' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.05 170.06 21.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -48.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.39 79.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -50.87 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.75 89.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.12 -51.37 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.05 8.72 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER 69.75 -58.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 155.24 -21.23 0.56 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.512 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -100.89 153.97 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -107.49 151.38 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 52' ' ' LEU . 73.1 t -141.79 138.41 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 t -118.66 112.39 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.48 -175.56 32.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.81 18.18 59.14 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -77.75 117.87 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.43 ' CE ' ' O ' ' A' ' 63' ' ' GLY . 1.3 tpt -80.77 110.11 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.7 p -78.48 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.437 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.51 -31.18 37.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.56 21.48 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.43 ' O ' ' CE ' ' A' ' 59' ' ' MET . . . 59.73 18.93 47.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -90.45 152.78 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 0.77 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -112.39 136.65 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -155.68 154.3 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.98 122.13 42.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 50.3 m-85 -117.66 143.86 45.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 88.7 mt -64.4 131.44 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.3 p -104.52 -40.0 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.49 142.34 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.543 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p -136.3 113.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.08 142.22 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.38 105.69 17.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.51 23.29 4.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.01 166.69 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.3 mt -43.37 -64.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB1' ' CD1' ' A' ' 84' ' ' LEU . . . -73.17 58.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -179.46 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 36.4 p -84.95 -40.22 17.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 5.4 m -104.97 -39.69 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.11 -36.37 27.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 59.33 42.67 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.613 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 31' ' ' ILE . 7.0 mt -80.37 176.54 9.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -151.59 154.03 32.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.543 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.98 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.84 -18.24 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.11 175.68 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -129.36 103.12 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.3 100.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 122' ' ' VAL . 88.4 mt -64.61 -56.24 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.68 168.13 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.574 ' CE3' HD23 ' A' ' 121' ' ' LEU . 16.2 t-105 -145.93 93.49 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.2 t-20 77.0 20.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.0 52.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -87.34 112.48 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.94 131.4 46.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.41 ' CD2' HD12 ' A' ' 109' ' ' ILE . 23.7 mt -95.78 -22.66 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -54.88 116.08 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.52 -29.83 7.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.96 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -76.4 170.8 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -50.59 -42.77 56.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.57 -51.72 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.62 -49.03 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.41 -46.66 89.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -64.87 -55.07 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 112' ' ' GLU . 60.5 m-20 -43.12 -40.62 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 112' ' ' GLU . 41.8 mt -57.19 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.543 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -46.23 -45.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.67 -35.77 77.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.5 mm-40 -77.02 -35.1 57.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -92.4 25.17 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.52 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 5.9 mtpt -71.24 -51.44 10.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.1 Cg_endo -75.01 -21.21 16.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -42.38 142.31 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.54 6.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -139.93 158.9 43.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.407 HG13 ' NE1' ' A' ' 93' ' ' TRP . 21.9 t -138.23 112.54 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -96.79 106.05 18.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.574 HD23 ' CE3' ' A' ' 93' ' ' TRP . 5.1 mt -86.6 161.51 18.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 91' ' ' LEU . 26.3 t -147.66 103.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.5 p -108.78 158.71 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.446 ' CB ' ' CD1' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -124.2 130.54 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.1 161.0 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 m -107.61 143.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.407 ' HB ' ' NE2' ' A' ' 19' ' ' GLN . 0.5 OUTLIER -148.83 126.09 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.581 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 89.0 m95 -114.11 109.37 18.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.9 mp0 -136.48 150.59 70.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.6 42.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 174.27 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -55.25 4.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.2 -56.08 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.1 -36.55 3.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.36 -34.65 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -95.86 151.02 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 115.02 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' GLN . 11.9 mm -90.14 117.7 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.581 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.4 139.94 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -121.38 139.91 52.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG2' HD21 ' A' ' 33' ' ' LEU . 2.9 mp -137.64 111.26 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.548 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -114.07 137.19 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.491 HD21 ' CG2' ' A' ' 31' ' ' ILE . 2.1 mm? -124.12 145.97 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -121.3 145.0 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 63.3 mttt -112.04 -48.66 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 56.3 mtt180 -35.78 114.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.91 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -37.5 77.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.09 -43.63 98.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.72 54.61 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -163.85 121.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 90.9 t -54.61 132.55 64.28 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' ARG . 18.4 Cg_endo -74.97 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -36.69 -45.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 47' ' ' GLY . 6.9 t0 176.75 83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.75 67.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 53.68 69.55 1.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -46.74 -53.66 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.6 -16.94 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD13 ' CH2' ' A' ' 93' ' ' TRP . 1.7 mp 72.72 2.93 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.36 38.87 16.61 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.52 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -152.99 154.37 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.58 150.94 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 52' ' ' LEU . 99.1 t -141.39 138.03 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.66 112.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.19 -168.97 28.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.36 16.32 14.58 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.21 126.53 30.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.28 116.22 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.2 p -86.02 -173.54 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -82.51 -10.4 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -101.67 8.91 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 21.19 76.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -108.43 167.79 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -107.64 138.89 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.3 m -154.32 143.93 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.54 155.59 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -152.74 143.21 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 98.1 mt -70.45 124.43 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 p -95.71 -47.93 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 148.85 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.571 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -144.21 118.07 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -53.99 131.86 41.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -84.22 105.04 14.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.31 20.55 5.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 77' ' ' LEU . 1.5 m -115.08 166.7 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 76' ' ' SER . 1.0 OUTLIER -39.14 -66.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -72.1 59.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t70 177.92 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 22.3 p -85.7 -50.72 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 m -95.98 -36.5 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.32 -43.62 9.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 80' ' ' THR . 99.0 m-70 66.46 45.64 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' A' ' 31' ' ' ILE . 3.6 mt -85.2 174.96 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -153.13 150.99 25.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.571 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.2 Cg_endo -74.96 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.06 -24.44 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.49 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 1.2 m-20 -64.81 -176.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -136.88 105.96 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 37.4 t -71.19 107.13 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 122' ' ' VAL . 66.5 mt -71.77 -59.27 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.12 165.5 13.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.6 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 13.6 t-105 -147.81 92.32 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' GLU . 2.1 t-20 71.72 35.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.49 -7.45 81.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -92.94 114.31 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.01 131.59 43.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 109' ' ' ILE . 15.3 mt -95.55 -22.84 17.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.47 114.18 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.6 -28.27 12.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.76 143.96 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.3 p -78.61 171.42 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -55.06 -41.04 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.49 -43.19 73.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.5 -59.21 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.8 t -45.81 -40.93 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.2 t80 -72.22 -53.02 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 112' ' ' GLU . 73.7 m-20 -45.39 -32.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.445 HD13 ' CD2' ' A' ' 98' ' ' LEU . 50.9 mt -67.73 -68.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.6 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.0 mt -49.18 -33.86 6.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -77.18 -35.92 55.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.4 mm-40 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 m -104.26 25.04 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.5 OUTLIER -74.45 -48.68 5.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -25.4 11.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.59 150.62 0.52 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.505 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.04 -38.28 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.73 159.65 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.449 ' HB ' ' CD2' ' A' ' 50' ' ' LEU . 58.1 t -130.54 111.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER -94.96 127.48 41.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.581 ' HG ' ' CE3' ' A' ' 93' ' ' TRP . 3.1 mp -118.18 162.04 18.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.7 t -147.62 119.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -116.65 144.71 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -126.06 111.98 15.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -114.95 159.76 20.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.035 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -31.12 6.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.27 146.54 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.58 125.46 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CH2' HG21 ' A' ' 123' ' ' VAL . 95.1 m95 -112.48 109.42 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -135.45 150.22 71.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 157.5 42.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -70.7 -179.64 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -44.04 66.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -68.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.19 -21.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -23.02 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -111.68 152.2 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.28 113.07 22.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 mm -95.11 119.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.26 131.34 9.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -118.26 112.78 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.747 . . . . 0.0 110.345 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.405 ' CD1' HD22 ' A' ' 84' ' ' LEU . 1.7 mp -103.95 156.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -141.57 142.69 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD23 ' CG2' ' A' ' 81' ' ' VAL . 5.5 mt -133.63 141.41 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -122.18 142.89 49.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 2.5 mtpm? -111.69 -27.66 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HA ' ' N ' ' A' ' 42' ' ' VAL . 62.8 mtm180 -48.75 115.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' ARG . 1.7 mt -52.43 -174.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.86 83.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -49.85 62.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.44 42.24 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -173.51 136.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 109.978 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.535 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 4.4 p -87.63 143.72 34.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.04 164.18 33.79 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -37.39 -49.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.41 121.14 12.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -126.35 -71.77 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.35 68.42 0.53 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . -56.04 -51.58 67.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.26 -0.42 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 1.2 mm? 68.74 -60.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 160.12 -23.33 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -95.96 164.63 12.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.48 121.6 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.46 ' CG2' HD13 ' A' ' 52' ' ' LEU . 44.7 t -107.66 149.89 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 70' ' ' THR . 5.7 t -133.89 112.47 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.64 -170.51 29.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.3 12.26 37.63 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.4 ttpt -72.19 119.51 16.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -83.51 114.51 21.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.4 p -82.34 -167.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -83.31 -13.93 54.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.22 14.19 30.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.42 16.99 61.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -96.16 160.71 14.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.9 mt -115.38 140.12 49.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -157.22 160.88 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.81 124.61 49.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 22.3 m-85 -121.47 142.61 49.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.435 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 68.5 mt -62.72 139.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.456 HG22 ' CG2' ' A' ' 55' ' ' VAL . 37.0 p -112.19 -46.36 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.77 143.88 23.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.566 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -135.85 111.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -54.35 145.96 16.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 104.52 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.25 26.8 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 80' ' ' THR . 56.1 p -123.74 170.84 10.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.4 mm? -41.07 -69.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -68.82 61.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . 7.6 t70 -178.93 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 83' ' ' HIS . 60.9 p -73.03 -28.89 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.376 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 15.3 m -117.45 -40.0 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.51 -35.63 22.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.445 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.6 m-70 50.61 32.54 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.591 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 52' ' ' LEU . 3.0 mt -67.23 -170.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.47 149.86 16.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 93.5 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -25.43 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -179.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -137.09 102.36 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.65 113.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 73.6 mt -79.87 -56.89 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -114.59 163.79 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.552 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 29.1 t-105 -140.55 92.9 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 74.01 12.01 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.12 -15.63 13.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.47 ' CB ' HG23 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -81.6 116.01 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.92 132.17 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.1 mt -99.49 -21.43 15.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -57.94 112.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.46 -35.18 4.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.07 151.0 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.4 p -86.34 173.78 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -53.83 -50.0 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.91 -47.65 84.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.99 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -42.8 -51.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -58.85 -61.24 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -42.16 -48.97 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 96' ' ' ARG . 43.9 mt -47.72 -62.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.552 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.6 mt -51.06 -36.2 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.85 -27.23 66.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.7 mt-10 -81.28 -12.49 59.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.08 11.21 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.532 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -64.47 -50.92 63.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -22.66 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.67 138.88 69.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -35.91 2.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 111.049 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -132.84 167.34 20.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 55.9 t -141.86 118.74 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -101.16 109.7 21.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.491 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 6.8 mp -92.67 165.42 12.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.19 109.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.541 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.53 153.97 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.0 t -143.28 114.6 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 157.19 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -102.45 138.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.74 129.47 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.558 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 87.0 m95 -118.7 108.91 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -134.78 152.38 77.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 157.63 42.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -72.05 -176.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.8 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.05 -70.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.67 -36.9 1.84 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.44 -23.6 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -106.12 150.85 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' CD ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -118.97 119.48 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.56 115.02 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -108.66 138.7 14.85 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.097 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -123.37 123.46 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' CD1' HD23 ' A' ' 84' ' ' LEU . 4.1 mp -117.64 114.6 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -111.78 136.18 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 81' ' ' VAL . 2.6 mm? -120.06 145.83 46.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.59 127.57 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -31.85 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -38.22 111.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.93 -170.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -38.33 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -34.29 61.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.11 52.79 3.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -130.46 6.74 4.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 8.1 t 61.26 133.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.02 173.99 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -44.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 85.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.02 88.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.09 88.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -51.34 -49.39 61.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.52 15.94 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER 69.32 -60.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 166.71 -29.22 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -98.29 165.97 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 143.5 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.8 t -128.21 142.44 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.44 114.02 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA3' ' CG2' ' A' ' 106' ' ' VAL . . . -99.03 -166.31 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.59 18.44 10.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.531 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -73.22 122.52 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.47 110.74 13.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.4 p -76.93 -169.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -84.86 -11.12 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.55 16.85 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.1 32.86 85.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.5 mtt-85 -111.0 164.01 13.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -112.8 139.52 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -161.82 156.8 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.34 147.16 27.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 43.4 m-85 -144.25 145.77 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.406 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 97.0 mt -69.59 124.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -93.1 -48.77 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -148.5 154.38 39.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 29.8 t -126.85 135.55 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -72.85 119.23 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 103.43 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.65 41.16 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.53 166.65 22.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 mt -40.62 -64.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.504 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.52 61.68 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t0 176.4 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.6 p -82.84 -39.72 21.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.45 HG22 ' CD1' ' A' ' 33' ' ' LEU . 12.1 m -108.42 -39.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.14 -37.05 22.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 62.44 15.8 8.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.558 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 31' ' ' ILE . 17.4 mt -49.99 167.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -149.62 152.39 34.89 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HA ' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.06 2.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.64 155.16 26.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -107.96 104.21 13.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 p -70.73 95.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 122' ' ' VAL . 16.3 mt -56.83 -59.78 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 38.0 mt-10 -119.11 166.24 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.568 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 12.2 t-105 -142.55 92.52 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 5.0 t-20 78.75 -2.47 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.12 -15.73 5.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HB3' ' CD1' ' A' ' 109' ' ' ILE . 1.0 OUTLIER -78.55 126.25 30.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 tp -78.46 119.71 22.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.52 -14.62 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -64.41 112.13 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.83 -20.91 32.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.89 151.99 10.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -94.97 157.34 15.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -40.23 -46.76 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.8 -50.05 75.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -66.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.475 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 59.1 t -40.22 -54.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.04 -60.63 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' GLU . 24.5 m-20 -46.83 -54.41 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 96' ' ' ARG . 92.8 mt -42.87 -64.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.8 mt -50.78 -36.12 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.5 tp -70.0 -28.98 65.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.7 mm-40 -76.69 -20.4 56.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 15.62 25.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 7.1 mtpt -67.28 -51.9 32.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.5 Cg_endo -74.99 -30.11 7.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 142.99 0.58 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.8 11.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -140.63 167.0 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.5 t -144.24 111.2 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 94' ' ' ASN . 5.6 tt0 -96.12 108.11 20.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.49 HD13 ' CZ3' ' A' ' 93' ' ' TRP . 4.0 mt -90.81 163.19 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.1 t -147.99 104.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.5 OUTLIER -107.01 160.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.474 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 25.7 t -139.86 129.58 24.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.14 155.8 48.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.24 6.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.2 t -105.02 141.26 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.16 131.39 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.3 m95 -123.89 109.01 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 48.6 mm-40 -140.13 153.5 69.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -71.07 -173.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.944 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -40.15 78.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.8 -72.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.99 -23.96 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.11 -28.87 69.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -103.46 161.18 14.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -127.18 107.07 9.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.2 mm -84.25 124.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -126.87 134.67 8.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.05 150.43 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 121' ' ' LEU . 2.6 mp -143.21 117.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -116.22 133.98 55.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CG ' HD21 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -118.47 145.51 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -125.95 97.94 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.36 26.13 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -83.94 157.58 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 41' ' ' SER . 16.3 mt -82.94 -172.89 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -67.42 -52.35 40.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -52.04 -41.09 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.01 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 16.5 m -140.52 122.39 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -52.15 140.01 33.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 -172.12 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.515 1.798 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -36.24 -44.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -151.86 -67.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 78.03 40.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.043 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 48.54 68.44 1.28 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.3 -24.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -68.21 -6.17 22.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.535 HD21 ' CG ' ' A' ' 33' ' ' LEU . 2.0 mp 69.22 -60.37 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 145.01 40.77 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -158.81 150.48 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.458 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.64 133.06 53.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 52' ' ' LEU . 25.1 t -118.92 146.43 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.4 HG23 ' CG2' ' A' ' 70' ' ' THR . 3.2 t -130.71 112.56 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -104.28 -166.72 24.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 52.84 19.85 7.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.1 ttpt -77.32 123.1 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.82 115.63 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -91.81 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -86.68 -21.64 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.4 p -80.33 -6.51 58.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.51 22.42 62.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -117.94 168.26 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.0 mt -106.82 135.19 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -143.76 147.32 34.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.15 133.44 42.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CD1' ' HG3' ' A' ' 89' ' ' GLU . 15.4 m-85 -133.25 145.59 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 87.9 mt -68.18 138.13 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.4 ' CG2' HG23 ' A' ' 55' ' ' VAL . 65.7 p -110.4 -45.09 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.15 146.14 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -141.0 114.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -53.97 129.38 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.66 104.62 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.428 ' C ' ' CG2' ' A' ' 80' ' ' THR . . . 115.72 22.99 4.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.56 177.62 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.47 -60.87 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . . . -75.06 58.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -177.71 -53.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 32.6 p -76.06 -41.1 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' CD1' ' A' ' 33' ' ' LEU . 13.7 m -107.81 -38.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.66 -37.18 31.14 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 54.37 43.18 30.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 78' ' ' ALA . 5.2 mt -80.37 -174.54 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -157.86 147.62 15.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.572 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.04 86.9 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.96 -30.02 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.472 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 2.7 m-20 -54.76 -176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.525 ' HG3' ' CD1' ' A' ' 68' ' ' PHE . 33.3 tt0 -137.96 101.37 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -73.34 116.44 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.3 mt -84.49 -58.03 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -112.99 160.72 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.578 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 5.8 t-105 -144.83 92.25 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.4 t-20 71.85 27.16 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.33 -13.37 61.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -83.81 114.85 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 131.04 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 109' ' ' ILE . 14.9 mt -98.45 -21.17 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.42 114.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.49 -23.51 18.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.17 138.95 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.2 p -76.19 169.85 17.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.6 -38.32 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.89 -44.74 54.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -55.09 -50.97 67.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.15 -39.79 74.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.99 -47.6 61.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' GLU . 27.3 m-80 -49.43 -33.05 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 98' ' ' LEU . 10.8 mt -66.24 -72.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.578 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.7 mt -46.89 -36.56 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.28 -37.79 68.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.1 mm-40 -73.56 -27.33 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.8 m -92.25 24.59 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -70.53 -50.4 14.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.97 -27.59 9.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.69 144.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.496 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.03 -32.89 4.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -139.32 162.18 35.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.563 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 93.0 t -133.73 120.39 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -105.73 132.0 52.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' ILE . 5.0 mp -118.87 163.39 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.6 t -145.54 111.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -110.35 143.29 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.0 t -111.89 109.46 19.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.57 162.34 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' CA ' ' HB3' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -22.37 14.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -114.26 138.52 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.96 133.64 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CH2' ' CG2' ' A' ' 123' ' ' VAL . 91.8 m95 -130.07 109.2 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.477 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 29.4 mm-40 -136.85 153.43 75.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.425 ' N ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.15 41.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.6 p -79.04 -176.68 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -48.91 -48.96 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.7 -66.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.18 -32.1 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.63 -37.21 39.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -99.32 140.51 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -107.95 111.91 24.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' GLN . 7.9 mm -88.25 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.34 134.49 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 104.25 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.504 ' CD1' ' CG2' ' A' ' 123' ' ' VAL . 2.8 mp -92.04 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 33' ' ' LEU . 1.7 tm? -137.86 130.13 29.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.608 ' HB2' ' CG1' ' A' ' 119' ' ' VAL . 21.7 mt -121.52 145.11 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -121.27 169.95 10.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ARG . 6.8 mttp -137.42 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' NH1' ' CA ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -38.16 132.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.75 -172.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -37.69 84.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.29 -43.26 99.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' NH1' ' A' ' 36' ' ' ARG . . . 115.54 55.52 0.36 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -164.48 139.99 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -75.34 126.61 87.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 177.95 7.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -44.65 -28.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.36 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -73.56 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.67 88.81 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -60.52 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.63 4.96 33.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 50' ' ' LEU . 2.2 mm? 68.76 -61.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.23 -30.15 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -95.95 168.17 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 109.232 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.3 138.13 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 52' ' ' LEU . 87.2 t -114.24 145.91 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.433 ' CG2' HG22 ' A' ' 70' ' ' THR . 3.5 t -129.56 112.8 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -104.42 -165.63 24.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.14 18.38 9.24 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -75.56 126.28 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.96 115.45 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -86.41 -167.64 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.99 5.5 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.87 9.79 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.28 20.53 73.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -109.56 174.92 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.8 mt -112.73 142.02 45.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 78.4 m -152.5 153.4 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -150.36 145.0 25.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.429 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 98.2 mt -67.99 130.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.433 HG22 ' CG2' ' A' ' 55' ' ' VAL . 18.0 p -98.96 -51.53 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -148.03 144.17 27.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.59 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -135.25 112.15 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -53.99 138.95 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.63 103.37 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.06 27.73 2.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.91 -175.15 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.46 -58.31 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -79.08 64.44 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.422 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 16.5 t70 178.01 -52.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.481 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 23.8 p -90.12 -24.31 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.7 -37.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.58 -36.72 6.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 95.1 m-70 57.02 36.18 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.63 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 31' ' ' ILE . 8.3 mt -70.53 -170.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -159.16 142.9 10.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.59 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.95 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.29 -25.24 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.77 167.65 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -115.71 107.31 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.413 ' CG1' HD13 ' A' ' 98' ' ' LEU . 43.7 t -71.16 110.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.4 mt -73.9 -57.34 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -129.69 159.36 36.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.593 ' CD2' HD22 ' A' ' 121' ' ' LEU . 5.1 t-105 -135.26 96.43 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.7 t-20 73.46 20.06 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.45 46.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -90.09 112.44 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 133.37 48.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 109' ' ' ILE . 22.9 mt -96.11 -24.41 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.28 113.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.19 -31.4 7.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.103 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.33 141.61 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.4 p -73.29 173.81 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.07 -35.46 75.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -76.57 -43.53 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -54.65 -59.87 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.7 t -47.64 -46.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.44 -52.23 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 112' ' ' GLU . 37.1 m-20 -49.89 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 98' ' ' LEU . 96.9 mt -47.9 -65.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.557 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.4 mt -52.12 -27.37 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 tp -77.6 -27.66 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ILE . 0.9 OUTLIER -81.75 -13.88 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 m -97.35 12.9 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -65.74 -52.85 39.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -32.1 5.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.28 146.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.455 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 -39.15 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -131.1 -177.5 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.608 ' CG1' ' HB2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -154.54 106.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.593 HD22 ' CD2' ' A' ' 93' ' ' TRP . 24.3 mt -91.9 164.69 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.8 t -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.504 ' CG2' ' CD1' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -131.47 153.22 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.8 t -144.14 111.52 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.95 162.85 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.06 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.71 144.18 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.12 122.51 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.543 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 97.0 m95 -112.58 109.35 18.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -135.74 149.61 69.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.1 43.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.1 p -69.42 -170.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -45.68 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -72.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.19 -30.96 2.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -54.91 -29.75 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -101.63 159.36 15.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -125.97 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' GLN . 19.7 mm -92.73 117.28 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -114.03 136.6 13.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -125.99 115.1 19.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.7 mp -99.02 158.81 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.4 tm? -141.19 140.73 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 119' ' ' VAL . 5.2 mt -133.96 142.38 47.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -124.28 153.3 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -118.53 -41.74 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -40.6 115.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.82 174.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -49.56 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.78 -45.52 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 45.04 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.4 p -145.07 131.88 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.95 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.0 t -74.56 132.21 78.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.42 18.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.66 -33.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 103.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.61 43.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 87.62 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -52.74 -52.64 55.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.5 13.08 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 67.1 -73.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.56 39.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -157.67 157.57 33.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -105.87 135.21 47.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 67' ' ' ALA . 89.8 t -124.51 146.94 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 103' ' ' PHE . 2.4 p -135.66 112.71 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.68 -172.63 26.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.8 11.41 36.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.8 OUTLIER -72.46 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.4 ' SD ' HD23 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -76.24 114.38 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -84.84 -164.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.68 -20.7 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 9.03 36.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.037 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.76 19.03 72.89 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -101.06 165.93 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 59.2 mt -115.78 137.77 51.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.34 158.42 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.325 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . . . -90.95 133.37 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' A' ' 89' ' ' GLU . 80.8 m-85 -122.53 145.87 47.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 89.7 mt -84.62 122.41 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.409 ' CG2' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -91.14 -45.91 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.16 160.66 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 40.8 t -138.28 117.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' GLY . 3.9 tptm -54.54 141.08 32.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 102.84 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.18 44.73 1.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 m -137.39 172.95 12.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 79' ' ' ASP . 4.4 mm? -42.86 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.528 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -68.86 63.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 77' ' ' LEU . 4.3 t70 175.24 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.2 p -76.12 -27.88 57.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 5.3 m -118.89 -40.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 -45.02 8.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 69.56 9.42 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.468 HD12 ' CD2' ' A' ' 52' ' ' LEU . 9.3 mt -46.61 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -149.47 153.69 37.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HA ' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 107.63 2.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.47 -27.01 1.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 0.6 OUTLIER -67.71 -178.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 42.4 tt0 -135.26 110.12 8.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.547 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 21.4 t -75.37 123.8 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.548 ' HB2' ' CG2' ' A' ' 122' ' ' VAL . 12.5 mt -95.05 -59.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 122' ' ' VAL . 38.3 mt-10 -113.65 148.77 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 7.2 t-105 -136.06 93.87 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 74.28 17.33 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.32 -10.83 43.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -84.26 113.64 21.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 tp -66.72 132.87 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 67' ' ' ALA . 35.8 mt -100.76 -20.96 15.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -60.0 117.1 4.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.56 -33.11 5.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.04 144.09 55.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.1 p -76.14 175.8 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.473 ' CE1' HG21 ' A' ' 55' ' ' VAL . 89.7 t80 -58.74 -48.18 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.42 -42.12 99.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -60.33 -55.42 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 36.3 t -53.56 -40.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.8 -54.23 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -42.35 -41.51 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.435 HD13 ' CD2' ' A' ' 98' ' ' LEU . 4.7 mt -55.12 -67.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.574 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.1 mt -46.01 -27.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -74.79 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.37 -21.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.18 25.01 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 5.3 mtpt -73.35 -50.94 6.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.97 -25.1 12.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.9 141.88 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.49 6.19 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -142.0 170.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 93' ' ' TRP . 3.0 t -144.04 122.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -104.49 106.13 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.566 ' HG ' ' CE3' ' A' ' 93' ' ' TRP . 1.9 mp -98.78 161.38 13.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.548 ' CG2' ' HB2' ' A' ' 91' ' ' LEU . 1.3 m -145.77 139.85 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.467 HG23 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -134.39 142.72 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 t -106.23 125.84 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.4 163.38 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.14 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 m -100.65 143.85 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.44 123.93 10.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 86.6 m95 -109.55 109.32 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.7 mp0 -133.68 150.4 74.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.41 41.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.056 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -76.47 172.7 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -51.0 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -64.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.77 -30.28 3.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -51.62 -24.48 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' NH2' ' HB3' ' A' ' 126' ' ' SER . 3.9 mmt180 -111.99 155.29 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.79 119.08 31.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' GLN . 15.9 mm -94.54 110.6 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.557 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.26 135.62 12.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.02 135.41 54.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 84' ' ' LEU . 4.0 mp -131.52 111.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -108.8 116.3 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.482 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -103.71 145.43 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 118' ' ' GLN . 12.7 t-20 -136.62 123.67 21.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.82 -28.67 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -39.0 106.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -51.2 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -49.86 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.16 -37.37 54.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.65 48.4 0.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.1 m -155.23 136.01 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.947 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 95.4 t -75.78 135.87 70.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.41 -33.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.84 78.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -53.08 -56.02 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 178.5 70.43 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.158 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -49.3 -46.19 46.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.98 -14.92 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.969 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.581 HD13 ' CH2' ' A' ' 93' ' ' TRP . 1.8 mp 68.85 7.26 6.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.05 44.78 44.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.511 HD11 ' CG2' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -157.71 155.63 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.557 ' CD ' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -115.8 144.71 43.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.557 ' N ' ' CD ' ' A' ' 53' ' ' LYS . 57.3 t -134.82 143.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG12 ' CG2' ' A' ' 70' ' ' THR . 5.7 p -124.47 111.09 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.49 -174.62 32.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.96 14.65 17.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.48 119.06 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.88 112.51 13.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 p -83.37 -166.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.461 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.24 -8.09 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.22 -4.39 35.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.13 7.97 84.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.74 158.42 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.4 mt -107.59 144.14 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -158.61 152.54 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.494 ' HB1' ' CG1' ' A' ' 90' ' ' VAL . . . -87.28 135.48 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 96.3 m-85 -127.22 138.09 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.0 mt -74.53 124.81 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.523 ' CG2' HG12 ' A' ' 55' ' ' VAL . 21.8 p -94.14 -45.05 7.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -151.21 155.9 39.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 47.8 t -131.38 130.83 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -61.41 112.53 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 104.43 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.7 45.75 1.74 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -139.49 170.24 16.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mt -43.76 -65.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.68 61.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t0 176.95 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 29.1 p -87.5 -41.47 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.9 m -103.51 -37.38 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.27 -36.18 24.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 80' ' ' THR . 87.7 m-70 64.36 18.59 11.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 31' ' ' ILE . 12.7 mt -59.72 166.91 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 158.73 32.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 111.59 3.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.82 -20.85 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CG ' HG23 ' A' ' 123' ' ' VAL . 1.2 m-20 -70.96 175.11 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 43.2 tt0 -129.81 104.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.494 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 2.4 p -73.66 100.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -62.79 -61.59 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' OE2' ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -113.18 175.01 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.581 ' CH2' HD13 ' A' ' 50' ' ' LEU . 12.2 t-105 -150.79 94.72 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 107.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.46 16.2 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.87 -7.61 35.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 mmt-85 -89.64 125.01 35.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.423 ' CD1' ' OE2' ' A' ' 92' ' ' GLU . 1.7 tp -75.47 128.46 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.9 mt -95.5 -17.94 21.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -62.5 119.82 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.95 -41.49 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 143.6 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 p -75.33 174.18 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.02 -48.16 82.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.28 -41.81 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.17 -51.75 67.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.7 t -52.31 -43.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 2.9 t80 -63.01 -47.13 84.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -51.63 -33.2 32.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.6 mt -68.98 -52.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.538 HG12 ' CE2' ' A' ' 93' ' ' TRP . 5.9 mt -63.23 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.427 HD22 ' CD ' ' A' ' 114' ' ' LYS . 1.6 tm? -71.95 -32.5 67.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.5 -22.98 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -94.42 24.75 4.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 4.5 mtpp -72.77 -48.08 8.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.93 -4.56 15.59 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -72.64 135.07 81.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.48 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.96 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.457 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 16.0 mt-30 -122.24 174.1 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 118' ' ' GLN . 60.0 t -155.18 103.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -92.15 107.9 19.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 119' ' ' VAL . 6.9 mt -93.22 162.25 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 91' ' ' LEU . 22.5 t -147.71 111.57 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -111.57 160.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.424 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 12.3 t -140.95 107.2 5.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.23 165.44 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.401 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.29 2.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -103.28 154.38 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.79 120.23 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.433 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.543 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.1 m95 -106.78 109.41 21.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -133.69 150.84 75.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.17 42.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.7 p -70.77 -173.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -43.74 85.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.82 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.55 -21.86 3.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.577 1.173 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -65.18 -35.45 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -95.13 164.99 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.83 119.02 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mm -98.26 111.0 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.3 146.57 16.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -128.54 127.86 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.502 ' CD1' HD21 ' A' ' 84' ' ' LEU . 3.7 mp -119.11 108.2 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.83 123.25 35.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -110.89 122.77 48.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -98.55 168.11 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.8 mtpp -142.66 -46.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.1 mtt180 -37.99 111.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.48 -139.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -43.91 21.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -26.6 60.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.43 53.9 5.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -125.86 1.59 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 41' ' ' SER . 40.5 t 59.96 129.23 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -75.02 158.55 42.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -52.84 9.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.86 -77.41 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 7.4 p 69.32 57.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.9 75.56 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -56.75 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.3 11.5 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD11 ' CG ' ' A' ' 33' ' ' LEU . 1.6 mm? 68.58 -61.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.94 -31.74 0.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD2' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -96.16 171.35 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 107.07 12.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.405 HG13 ' CG1' ' A' ' 90' ' ' VAL . 47.9 t -89.55 140.53 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -122.36 112.54 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.16 -175.45 28.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 62.73 12.01 39.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.98 130.55 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.439 ' SD ' ' CD2' ' A' ' 65' ' ' LEU . 1.2 tpt -91.67 111.89 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.3 p -80.52 -162.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.61 0.41 56.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.99 6.71 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.43 6.36 70.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.85 160.26 15.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.439 ' CD2' ' SD ' ' A' ' 59' ' ' MET . 43.9 mt -112.58 143.51 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.1 t -160.45 159.38 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.58 127.86 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 44.9 m-85 -124.03 142.24 51.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.77 133.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.5 p -104.69 -51.51 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -144.55 149.99 36.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 61.7 t -126.83 118.68 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 132.58 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 102.63 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 47.48 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 77' ' ' LEU . 50.4 m -138.6 164.35 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 3.9 mm? -39.16 -61.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.514 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.11 59.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 176.42 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.551 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 24.0 p -76.78 -42.25 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 33' ' ' LEU . 16.1 m -107.65 -40.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.32 -42.06 12.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.551 ' CE1' ' O ' ' A' ' 80' ' ' THR . 53.2 m-70 65.3 10.96 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.597 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 31' ' ' ILE . 8.2 mt -48.21 173.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -153.64 156.12 32.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.1 -25.58 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -179.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.25 107.48 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.405 ' CG1' HG13 ' A' ' 54' ' ' VAL . 2.8 p -74.46 101.77 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 124' ' ' SER . 49.4 mt -64.0 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -115.44 162.58 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CD2' ' CD2' ' A' ' 121' ' ' LEU . 5.7 t-105 -141.16 96.32 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.8 t-20 70.39 25.72 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.49 -9.14 60.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.472 ' CB ' HG23 ' A' ' 109' ' ' ILE . 13.9 mmt180 -88.77 118.77 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.3 132.93 42.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.439 ' CD2' HD11 ' A' ' 109' ' ' ILE . 14.6 mt -98.68 -22.22 16.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -57.22 114.08 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.44 -27.32 15.94 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.92 144.13 49.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.5 p -79.31 172.15 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.401 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 60.2 t80 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.24 -50.79 59.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.47 -60.56 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.0 t -46.05 -51.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -58.47 -60.72 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.1 m-80 -40.2 -50.03 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.472 HG23 ' CB ' ' A' ' 96' ' ' ARG . 90.9 mt -47.96 -65.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -46.87 -40.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tp -67.85 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.3 mt-10 -74.39 -5.05 40.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -112.77 12.88 19.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 22.0 mtpt -65.85 -51.98 44.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.94 145.03 0.58 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.63 9.81 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -146.84 176.86 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.507 ' CG2' HD21 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -149.55 111.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.06 102.89 14.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.629 ' CD2' ' CD2' ' A' ' 93' ' ' TRP . 16.4 mt -93.11 165.08 13.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.7 t -143.55 126.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.457 ' CG2' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -118.55 146.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 32.4 t -125.33 127.09 46.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -137.98 162.02 35.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.662 ' CE1' ' CG2' ' A' ' 17' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -23.67 13.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.766 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.75 142.27 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.662 ' CG2' ' CE1' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -151.54 121.34 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.2 m95 -111.21 109.59 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.94 150.93 74.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' CA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 p -64.57 -175.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -52.87 57.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -74.85 -81.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.78 46.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.15 -41.91 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -107.57 142.44 37.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -102.28 107.35 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.8 mm -85.32 122.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -117.62 118.36 4.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -111.46 107.69 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.94 156.32 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -141.56 143.58 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 81' ' ' VAL . 3.2 mt -134.47 145.26 48.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -133.42 132.48 41.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -115.86 -10.5 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -41.06 132.03 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.88 -172.18 2.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -58.52 -31.41 67.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.09 -31.78 27.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.43 48.44 4.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' VAL . 16.2 m -128.67 5.22 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 36.8 t 60.34 132.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 164.19 33.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -38.48 -51.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.93 107.57 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -103.83 -70.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.11 80.11 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.81 -60.09 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.26 3.84 53.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 33' ' ' LEU . 1.8 mm? 68.75 6.78 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.7 -13.13 65.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -103.17 163.39 12.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -120.45 142.9 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG11 ' CG1' ' A' ' 90' ' ' VAL . 75.6 t -131.56 136.62 56.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.5 t -114.66 113.05 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.61 -167.7 32.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 53.58 18.93 8.36 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.8 ttpt -71.1 120.8 17.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.25 115.86 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.3 p -85.12 -171.01 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -86.16 -6.39 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.51 15.22 24.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.61 71.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.1 167.69 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.9 mt -109.48 143.98 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 m -152.03 165.01 36.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.41 143.53 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 31.6 m-85 -144.48 144.24 31.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 87.8 mt -63.86 140.79 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 55' ' ' VAL . 30.9 p -111.89 -46.38 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 144.85 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.567 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.84 109.63 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -53.61 149.28 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 108.34 19.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.465 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.08 19.59 5.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -111.06 171.6 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.4 mt -44.76 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.442 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.81 59.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -169.36 -52.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.555 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 30.8 p -86.53 -38.64 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 33' ' ' LEU . 16.5 m -104.94 -38.87 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.677 ' C ' HD21 ' A' ' 84' ' ' LEU . . . -79.17 -45.86 8.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.555 ' CE1' ' O ' ' A' ' 80' ' ' THR . 95.8 m-70 64.03 34.01 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.677 HD21 ' C ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -71.99 -172.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -160.07 150.81 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.567 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.93 90.77 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.46 -37.59 0.25 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.444 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 3.4 m-20 -50.4 179.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 0.727 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' OE2' ' CZ ' ' A' ' 68' ' ' PHE . 53.7 tt0 -136.77 100.83 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.458 ' CG1' HG11 ' A' ' 54' ' ' VAL . 7.2 p -74.95 123.69 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.4 mt -91.57 -54.26 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -111.7 160.02 17.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 18.2 t-105 -142.81 92.14 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.1 t-20 76.85 13.85 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.73 -10.57 30.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.473 ' CB ' HG21 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -86.13 118.85 25.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.73 131.32 44.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 109' ' ' ILE . 26.0 mt -97.07 -22.56 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -56.94 117.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.25 -31.16 7.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.18 143.95 51.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 p -81.08 167.04 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -46.04 -47.34 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.95 -54.4 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.59 -56.31 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 83.8 t -50.96 -51.7 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ASN . 7.1 t80 -59.05 -58.48 8.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' TYR . 41.6 m-20 -40.23 -48.54 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.473 HG21 ' CB ' ' A' ' 96' ' ' ARG . 30.9 mt -51.03 -56.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.2 mt -56.14 -23.72 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.42 -25.26 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.12 -18.12 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -95.04 7.66 45.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -58.68 -51.87 78.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.01 -30.54 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.83 145.84 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.48 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -33.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.6 pt20 -136.41 179.05 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.4 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 22.0 t -147.46 108.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.07 122.35 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.555 HD23 ' CE3' ' A' ' 93' ' ' TRP . 8.1 mt -106.01 161.4 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -148.68 102.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -108.91 143.94 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -116.12 117.62 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.3 163.89 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.69 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 81' ' ' VAL . 1.1 m -97.76 147.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -149.74 122.56 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 89.9 m95 -117.67 109.07 16.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 19.6 mm-40 -140.21 152.31 66.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.414 ' CA ' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.04 164.1 33.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -64.75 170.1 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -42.75 -57.1 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.54 -70.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.76 43.26 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.31 -45.27 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -100.05 148.8 24.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -101.68 128.31 48.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -109.26 99.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -95.53 126.17 8.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -119.91 116.08 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.472 ' CD1' HD23 ' A' ' 84' ' ' LEU . 3.8 mp -107.24 136.95 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -128.7 134.06 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CB ' HD11 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -119.65 145.11 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -116.16 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' NZ ' ' CG2' ' A' ' 119' ' ' VAL . 0.4 OUTLIER -111.23 -19.55 12.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 7.1 mtp-105 -65.2 115.64 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -68.93 -143.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -48.89 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -42.7 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 36' ' ' ARG . . . 94.71 44.11 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.752 ' O ' ' O ' ' A' ' 42' ' ' VAL . 59.9 m -140.65 0.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.752 ' O ' ' O ' ' A' ' 41' ' ' SER . 5.3 p 48.27 143.97 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.553 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 166.25 29.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -38.16 -50.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -150.96 111.38 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.0 44.71 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 62.32 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -53.13 -32.37 47.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.58 5.01 25.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD11 ' CB ' ' A' ' 33' ' ' LEU . 2.6 mm? 68.68 -59.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 153.49 -20.99 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -97.14 159.14 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.01 144.65 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' HD21 ' A' ' 52' ' ' LEU . 75.3 t -135.71 138.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.403 HG22 ' CG2' ' A' ' 70' ' ' THR . 12.4 t -114.32 112.28 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.32 -173.29 34.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 64.75 9.5 39.47 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 129.42 39.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.14 123.48 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.1 p -95.45 -163.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.78 -28.93 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 p -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.78 -15.48 48.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -79.37 142.78 35.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -89.86 148.33 23.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -154.45 164.18 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.17 144.73 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 41.7 m-85 -140.19 149.41 42.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 86.3 mt -69.4 140.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.403 ' CG2' HG22 ' A' ' 55' ' ' VAL . 32.7 p -116.43 -34.03 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.28 142.52 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.72 112.65 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -55.68 148.67 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.57 109.64 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 113.9 21.89 5.51 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.08 166.1 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -43.08 -60.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 52' ' ' LEU . . . -74.54 57.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -179.91 -51.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.476 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 41.2 p -75.97 -34.51 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 6.9 m -114.76 -38.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.31 -31.79 33.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.452 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.4 m-70 48.27 35.09 5.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 31' ' ' ILE . 6.4 mt -66.65 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -158.54 150.67 17.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.563 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.06 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.34 42.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.503 ' OD2' ' CG1' ' A' ' 123' ' ' VAL . 0.4 OUTLIER -126.77 -178.32 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -134.71 105.47 6.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 t -76.72 119.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 99.2 mt -81.04 -55.69 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -125.36 160.64 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.58 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 14.4 t-105 -136.66 92.49 2.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.3 t-20 72.19 24.49 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.34 -15.83 46.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.454 ' CB ' HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -83.32 113.02 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.33 132.0 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.441 ' CD2' HD11 ' A' ' 109' ' ' ILE . 19.6 mt -95.03 -23.44 17.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -53.61 115.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.087 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.06 -32.31 6.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.05 142.24 25.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.9 p -77.33 177.16 8.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.41 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 17.0 t80 -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.0 -37.74 78.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.29 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.2 t -47.19 -49.62 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -59.41 -51.72 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -51.83 -44.87 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' A' ' 96' ' ' ARG . 60.3 mt -50.95 -62.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.58 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -52.12 -26.3 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.63 -27.87 37.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.4 mt-10 -70.6 -31.82 68.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 p -90.76 24.82 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.459 ' CB ' ' HD3' ' A' ' 115' ' ' PRO . 0.2 OUTLIER -61.0 -57.24 27.76 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.91 135.74 0.8 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.11 16.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.84 170.73 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.486 ' CG2' ' NZ ' ' A' ' 35' ' ' LYS . 48.0 t -145.36 125.07 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 94' ' ' ASN . 3.4 tt0 -108.89 118.46 36.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.574 HD11 ' CE3' ' A' ' 93' ' ' TRP . 3.8 mp -104.69 161.62 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -147.24 118.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.503 ' CG1' ' OD2' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -119.33 146.93 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.0 t -115.2 123.32 48.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 160.5 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 t -141.06 142.71 34.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.987 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.33 134.27 12.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 -161.76 10.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 p -163.46 -58.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.25 109.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.49 103.27 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -106.77 143.83 34.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 0.725 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 t -75.33 147.43 40.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -104.12 145.32 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.3 m -69.74 -173.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 48.07 76.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.92 67.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.463 ' N ' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -176.75 119.9 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.56 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -45.1 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 23.5 t -102.11 133.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.79 125.91 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 90.2 m95 -118.14 108.71 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -132.94 150.56 75.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' N ' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 160.96 39.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -77.21 -177.51 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.22 -43.65 64.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -73.25 -65.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.23 -34.11 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.17 -20.01 16.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -110.56 152.09 26.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -121.17 120.56 35.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.78 106.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.519 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -98.4 127.19 9.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.03 117.6 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.456 ' CD1' HD22 ' A' ' 84' ' ' LEU . 4.0 mp -111.37 151.87 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' N ' ' A' ' 33' ' ' LEU . 2.3 tm? -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 81' ' ' VAL . 4.1 mt -135.48 144.67 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -119.33 168.42 10.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ARG . 10.9 mttp -135.61 -46.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.1 mtm180 -37.73 110.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -49.07 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -46.63 47.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.82 -36.18 64.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 31.81 2.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.092 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.9 m -133.73 132.25 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.8 137.72 82.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -174.95 2.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -63.24 -21.2 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER 161.75 108.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -106.86 48.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.82 85.37 1.33 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -52.4 -38.68 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -89.85 11.46 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER 68.8 -62.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.89 -30.63 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -97.07 149.2 22.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -100.04 136.55 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.9 t -121.02 132.88 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 70' ' ' THR . 2.9 t -118.56 112.68 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.68 -173.79 28.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 58.76 14.93 24.79 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.84 128.22 35.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.445 ' CE ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -80.93 116.66 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.0 p -83.55 -167.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.95 -4.01 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.43 1.27 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' CE ' ' A' ' 59' ' ' MET . . . 80.18 9.01 87.08 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.33 168.03 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.48 148.11 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.4 m -161.62 145.93 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.07 132.12 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -132.34 148.83 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 86' ' ' PRO . 68.0 mt -71.66 124.92 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 73.3 p -91.28 -44.49 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -152.57 152.96 32.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.541 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 16.7 t -131.67 118.37 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -57.29 144.47 35.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -93.82 104.27 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.81 43.35 2.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.41 171.28 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.96 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.3 mm? -41.68 -70.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.541 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.64 68.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.3 t70 176.38 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.2 p -87.56 -38.35 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.391 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 33' ' ' LEU . 7.0 m -104.8 -39.38 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.55 -41.72 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 68.95 13.19 8.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 31' ' ' ILE . 27.1 mt -55.9 164.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -153.38 162.58 26.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 115.84 4.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.33 -7.55 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.44 164.16 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 55.7 tt0 -121.38 113.84 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.86 101.08 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 122' ' ' VAL . 1.1 mm? -66.82 -59.05 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -124.21 166.64 15.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.575 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 10.3 t-105 -145.24 103.88 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 93' ' ' TRP . 7.4 m-20 63.03 16.56 9.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.29 -3.55 33.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -92.8 112.23 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.31 130.07 41.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -98.24 -20.22 17.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.234 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -54.44 106.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.6 -30.41 9.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.95 142.32 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -76.53 171.27 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.41 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 58.1 t80 -55.05 -37.09 66.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -75.51 -48.13 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.27 -53.34 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.46 -51.28 58.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -58.1 -47.76 82.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -48.7 -52.74 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.449 ' C ' ' N ' ' A' ' 111' ' ' LEU . 9.1 mt -45.42 -74.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.575 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.2 mt -39.61 -30.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.449 ' N ' ' C ' ' A' ' 109' ' ' ILE . 0.8 OUTLIER -72.59 -58.52 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.33 -15.0 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -121.66 23.92 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.579 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -77.63 -48.32 2.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.01 -18.05 19.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.91 152.79 0.53 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -40.29 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -127.46 169.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.465 HG13 ' CZ2' ' A' ' 93' ' ' TRP . 39.2 t -144.11 113.31 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -104.26 108.72 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.557 HD13 ' CE3' ' A' ' 93' ' ' TRP . 1.3 mp -94.87 165.18 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 91' ' ' LEU . 23.2 t -147.47 110.67 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.1 p -109.44 163.31 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.466 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 19.8 m -150.1 111.99 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.21 154.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.2 p -92.21 108.28 19.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -68.07 -162.04 2.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 128.56 11.6 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.542 1.811 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.8 t -174.46 80.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 t -92.9 -60.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 m 40.95 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 p -54.13 125.52 19.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.92 -169.34 13.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 p -117.42 133.14 56.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.35 -58.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.46 -130.91 7.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -43.39 164.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.63 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -124.26 168.29 13.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -76.17 142.91 41.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.585 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.92 73.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -123.9 73.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -72.21 -107.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -95.38 143.2 25.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.618 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.17 133.95 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.07 126.82 12.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.7 m95 -122.33 109.13 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.961 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.487 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.62 153.22 74.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 162.21 37.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -65.09 176.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.35 -53.46 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.59 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 127' ' ' GLY . 1.0 OUTLIER -118.82 -46.53 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.96 142.23 28.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -106.24 104.71 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 HD13 ' N ' ' A' ' 28' ' ' ILE . 4.8 mm -86.09 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -127.06 145.16 15.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.46 145.97 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.48 ' CD1' HD21 ' A' ' 84' ' ' LEU . 3.5 mp -139.61 108.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tp -103.94 116.66 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -99.58 142.29 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.15 119.44 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -7.71 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -49.91 117.96 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.6 mt -48.0 173.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -98.7 29.96 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.94 59.19 5.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -154.21 126.06 7.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 86.9 t -82.21 134.08 49.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.04 171.03 19.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.2 -36.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.38 105.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -55.62 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.22 75.0 0.1 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -51.42 -41.91 61.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.65 7.63 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER 68.16 -64.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 171.99 -36.85 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -96.62 162.46 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.23 124.37 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.95 136.49 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.416 HG21 ' CG2' ' A' ' 70' ' ' THR . 2.5 t -122.78 112.72 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -104.59 -175.85 24.96 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 65.81 8.85 43.16 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 123.62 21.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.3 tpt -80.89 109.61 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.3 p -71.01 -165.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.41 1.95 56.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.18 5.03 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.45 11.31 85.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.48 169.64 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -113.83 145.44 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -157.55 144.9 18.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.55 126.38 38.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -126.36 145.21 50.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 97.4 mt -71.47 128.31 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.416 ' CG2' HG21 ' A' ' 55' ' ' VAL . 61.1 p -92.98 -54.23 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.437 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -145.13 155.55 43.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 63.4 t -129.5 120.1 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 14.8 tptt -60.58 131.99 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.75 104.49 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.59 39.65 2.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 t -131.05 167.69 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.0 mm? -40.78 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.514 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -71.44 62.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 73' ' ' LYS . 9.4 t0 177.48 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.4 p -82.3 -34.73 28.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.454 ' CG2' HD13 ' A' ' 33' ' ' LEU . 6.1 m -112.38 -41.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.61 -36.4 19.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 61.0 15.01 5.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.615 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 31' ' ' ILE . 11.8 mt -49.6 171.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.25 155.04 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.451 ' HA ' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.05 112.85 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.21 -10.25 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.22 -178.23 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 34.8 tt0 -136.59 113.38 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -77.78 100.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -64.99 -59.25 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -120.28 167.5 12.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.604 ' CE3' ' CD1' ' A' ' 121' ' ' LEU . 14.3 t-105 -149.64 105.7 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 93' ' ' TRP . 11.3 m-20 63.21 16.08 9.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.91 45.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -102.79 112.66 25.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.96 132.12 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 109' ' ' ILE . 30.9 mt -100.43 -20.48 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -53.64 107.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 99.61 -39.1 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.55 145.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.1 p -78.18 178.18 7.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.419 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 74.8 t80 -62.73 -40.87 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.24 -40.11 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.39 -64.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.6 t -44.54 -47.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -62.35 -61.82 2.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -40.75 -49.38 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 98' ' ' LEU . 97.2 mt -48.05 -65.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -50.85 -38.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.7 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.03 -11.97 60.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -123.64 24.7 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.534 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 6.8 mttt -72.49 -50.85 7.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.05 -21.69 15.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.88 146.57 0.31 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 -34.98 3.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -131.41 173.94 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 121' ' ' LEU . 60.6 t -150.15 126.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -113.0 110.01 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.604 ' CD1' ' CE3' ' A' ' 93' ' ' TRP . 3.5 mp -98.85 162.14 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 91' ' ' LEU . 31.2 t -147.79 107.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 1.3 p -108.07 159.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.2 m -126.28 141.51 51.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.04 162.95 22.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.0 p -109.49 109.22 19.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -41.74 164.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 137.95 22.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 p -179.23 157.86 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.32 136.82 49.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -157.78 85.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m 60.94 165.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.72 161.27 20.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -79.47 154.16 29.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.72 148.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.68 124.48 2.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -88.24 109.41 19.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.637 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 85.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -84.34 -63.49 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.601 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.6 p 179.16 75.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -135.79 76.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -114.19 67.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -57.08 150.56 39.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.12 146.9 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 ' HB ' ' NE2' ' A' ' 19' ' ' GLN . 0.5 OUTLIER -152.04 123.46 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 89.3 m95 -107.75 109.56 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 2.7 mp0 -134.54 148.98 69.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.8 39.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 p -76.68 179.17 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -53.44 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -65.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.33 -32.36 2.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -29.76 16.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -102.24 153.01 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.5 114.76 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 mm -92.4 116.72 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -107.3 137.73 14.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -118.84 141.61 48.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CD1' HD22 ' A' ' 84' ' ' LEU . 2.8 mp -140.43 109.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 tp -104.46 114.98 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CB ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -96.86 135.05 39.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -127.99 113.62 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -84.53 -33.93 23.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -41.52 111.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.27 172.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -45.32 62.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -38.93 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.42 48.13 0.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -153.52 130.95 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 69.5 t -64.28 133.24 95.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.99 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.783 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -39.04 -37.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.11 -47.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 71.71 34.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.6 91.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.28 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.19 12.36 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER 69.06 -61.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 165.24 -28.4 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD2' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -97.47 169.97 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.16 119.82 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.45 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 86.9 t -102.6 139.38 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 70' ' ' THR . 3.2 t -122.7 112.47 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 -174.37 33.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 61.06 13.02 32.67 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 127.27 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.435 ' SD ' ' CD2' ' A' ' 65' ' ' LEU . 1.6 tpt -90.2 104.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.1 p -70.66 -161.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -2.85 51.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.71 8.1 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.3 10.74 79.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -91.58 154.96 18.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CD2' ' SD ' ' A' ' 59' ' ' MET . 37.2 mt -112.23 136.95 51.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.7 t -161.99 147.29 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.16 131.95 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 56.2 m-85 -126.5 141.33 51.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.441 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 77.2 mt -61.93 130.94 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.472 HG22 ' CG2' ' A' ' 55' ' ' VAL . 11.9 p -103.49 -47.56 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -149.95 145.74 26.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.581 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -139.02 107.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -53.82 145.22 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 107.07 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.474 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.45 21.38 5.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 80' ' ' THR . 80.7 p -116.71 167.4 11.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -42.25 -61.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -74.63 58.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 8.8 t70 178.66 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.474 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 40.3 p -80.62 -33.73 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.456 ' CG2' HD12 ' A' ' 33' ' ' LEU . 7.4 m -115.91 -39.72 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.38 -25.31 54.83 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 80' ' ' THR . 94.6 m-70 40.33 40.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.48 HD12 ' CD2' ' A' ' 52' ' ' LEU . 5.4 mt -74.15 -171.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -156.46 147.73 16.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.581 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.99 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.23 -18.0 1.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -171.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' HD22 ' A' ' 91' ' ' LEU . 27.5 tt0 -136.68 108.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 p -77.84 99.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -63.11 -59.66 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -117.15 168.0 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.555 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 9.8 t-105 -147.67 93.2 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 1.8 t30 77.97 18.56 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.69 -2.99 52.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 113.39 25.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.16 133.45 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 mt -97.96 -23.35 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.59 115.78 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.98 -27.83 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.44 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.9 p -85.61 170.8 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.9 -46.07 42.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.55 -54.87 25.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -48.1 -58.31 4.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.7 t -50.62 -48.05 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.49 -54.94 36.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -43.6 -49.26 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 52.7 mt -46.82 -74.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.2 mt -40.63 -33.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -68.24 -57.32 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.97 -16.88 13.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -125.34 24.79 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.474 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -74.47 -54.17 3.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -11.92 21.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.447 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.44 150.3 0.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -33.53 4.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -138.39 165.93 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG11 ' CD1' ' A' ' 121' ' ' LEU . 37.9 t -147.43 118.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -98.99 102.6 14.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.554 HD11 ' CE3' ' A' ' 93' ' ' TRP . 7.1 mp -87.76 161.67 17.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 91' ' ' LEU . 37.6 t -148.16 109.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.7 OUTLIER -106.96 161.59 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.446 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 11.8 m -145.19 119.8 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.84 159.32 32.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.82 118.7 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.09 155.36 21.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 172.58 16.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.2 p -61.1 114.06 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.7 p -41.24 -32.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t 62.6 153.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.01 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -142.48 -58.68 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.05 -85.88 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.41 153.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.92 155.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.55 97.84 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -105.11 148.75 26.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 0.742 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.02 138.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.02 164.91 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.599 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.61 78.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -137.04 75.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -136.23 110.26 8.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -58.5 119.63 37.87 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.606 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.28 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.85 151.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.74 127.24 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.57 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 93.5 m95 -112.89 109.39 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.97 148.74 64.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.75 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 p -72.39 178.85 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.937 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -50.86 23.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -68.72 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 -18.31 4.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.97 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -105.58 163.57 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.67 107.53 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' GLN . 6.4 mm -81.22 117.27 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.3 133.37 11.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -118.74 129.92 55.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 84' ' ' LEU . 3.0 mp -125.84 111.57 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' CA ' ' A' ' 120' ' ' GLU . 3.0 tm? -107.05 137.79 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' CB ' HD11 ' A' ' 50' ' ' LEU . 1.1 mm? -120.68 145.4 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -132.77 108.15 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.25 -1.17 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -57.21 125.55 23.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -52.45 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -75.76 -16.39 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -101.57 28.98 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.41 70.61 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 p -172.43 124.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 74.8 t -80.76 137.56 50.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.38 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.4 -43.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -162.88 104.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -72.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.02 63.86 0.41 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -57.07 -39.5 75.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -91.65 5.04 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? 67.15 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.89 41.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 54' ' ' VAL . 1.9 pp -157.63 174.18 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.73 131.73 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG11 ' CG1' ' A' ' 90' ' ' VAL . 97.6 t -121.42 135.31 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 t -112.04 112.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.39 160.08 14.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.92 5.44 50.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 122.29 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.55 117.25 16.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.507 ' CG2' ' SG ' ' A' ' 66' ' ' CYS . 5.2 p -83.09 -172.1 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -88.22 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.24 10.81 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.39 71.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -120.47 171.79 8.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.344 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.3 mt -105.98 153.79 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.623 ' SG ' ' CE2' ' A' ' 68' ' ' PHE . 7.4 p -149.82 166.32 29.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.7 126.08 42.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.623 ' CE2' ' SG ' ' A' ' 66' ' ' CYS . 51.3 m-85 -123.39 148.9 45.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 96.0 mt -72.53 135.08 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 p -107.78 -43.07 4.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.73 149.07 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -142.88 113.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -53.3 133.75 39.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 105.57 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.78 21.76 4.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.0 m -116.99 171.91 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -44.32 -61.91 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -74.98 60.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 177.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.601 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.8 p -79.7 -37.31 35.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 5.6 m -109.99 -40.4 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.91 -38.15 20.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 80' ' ' THR . 73.1 m-70 56.16 41.59 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.58 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 31' ' ' ILE . 1.3 mt -76.51 -177.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -153.14 151.32 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.563 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.96 98.68 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.98 -20.59 0.87 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 178.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 51.4 tt0 -130.18 101.5 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.478 ' CG1' HG11 ' A' ' 54' ' ' VAL . 2.6 p -75.32 101.44 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 122' ' ' VAL . 49.4 mt -62.44 -59.38 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.573 ' CE3' HD21 ' A' ' 121' ' ' LEU . 11.1 t-105 -139.91 93.26 2.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 120' ' ' GLU . 3.7 t-20 75.9 21.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.2 -12.92 44.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -87.29 112.61 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 132.81 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 109' ' ' ILE . 28.3 mt -95.54 -24.0 16.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.0 116.2 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.33 -30.48 9.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.26 142.87 58.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.0 p -81.89 166.95 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -42.04 -51.05 4.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.33 -58.07 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.91 -46.6 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.77 -43.43 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -69.44 -58.12 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' GLU . 23.1 m-80 -40.87 -33.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 98' ' ' LEU . 61.6 mt -64.89 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.556 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -55.1 -38.37 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.19 -35.32 73.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -71.74 -23.58 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.5 p -96.71 24.66 5.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -66.91 -51.35 38.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.03 -25.93 11.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 118' ' ' GLN . 0.8 OUTLIER -38.81 139.89 0.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.437 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 -29.33 8.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 116' ' ' GLU . 3.5 pt20 -141.07 177.17 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.8 t -150.72 104.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 94' ' ' ASN . 12.1 tt0 -94.07 106.46 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.573 HD21 ' CE3' ' A' ' 93' ' ' TRP . 8.6 mt -85.45 163.64 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.8 t -147.55 100.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.4 p -105.17 163.45 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.447 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 8.4 t -148.21 114.23 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.11 27.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 p -82.19 123.07 28.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.29 -170.93 1.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.36 22.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.92 134.83 28.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 75.7 p -79.01 166.89 21.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.77 167.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.49 119.55 21.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -159.62 19.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -145.05 -58.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.14 148.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.58 174.54 35.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -161.15 125.41 3.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.6 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 p -113.07 154.81 25.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.77 96.03 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 m -109.43 74.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.79 78.29 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -98.88 -104.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -97.31 142.86 25.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.37 8.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.53 145.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -147.9 122.24 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 96.1 m95 -108.09 109.41 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.9 mp0 -131.86 147.36 65.64 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.41 42.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -72.14 -177.42 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -53.2 -49.35 66.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.19 -57.09 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -31.34 4.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -54.0 -26.37 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -106.42 149.12 27.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.65 116.04 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' GLN . 9.9 mm -96.21 118.11 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -112.07 124.2 6.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.54 108.94 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' CD1' HD21 ' A' ' 84' ' ' LEU . 4.2 mp -101.15 151.61 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -141.08 138.34 33.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 50' ' ' LEU . 3.3 mt -132.55 145.14 50.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -116.82 166.97 11.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.4 mtpm? -134.35 -46.64 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 35' ' ' LYS . 31.0 mtt180 -34.47 114.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.28 -171.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -46.69 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -43.49 67.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.21 0.5 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -158.35 141.75 15.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.9 t -82.47 132.67 51.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.21 2.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.49 -36.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.8 93.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.96 51.33 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.11 75.22 0.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -48.77 -42.08 34.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -59.32 -14.11 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 33' ' ' LEU . 1.3 mp 69.37 -61.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 152.89 47.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -157.08 162.06 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.74 146.84 48.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.48 ' CG2' HD12 ' A' ' 52' ' ' LEU . 42.8 t -136.88 143.69 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 70' ' ' THR . 2.5 t -123.75 112.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.42 -175.44 29.96 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 16.71 61.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -74.83 118.51 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 tpt -81.36 112.64 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.2 p -79.06 -160.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.3 -0.13 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.32 11.49 20.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.92 14.19 70.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -96.89 160.97 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.8 mt -115.12 136.46 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -152.95 147.8 26.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 108.352 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 150.1 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 80.5 m-85 -143.43 146.23 33.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 91.3 mt -72.41 131.95 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.474 HG23 ' CG2' ' A' ' 55' ' ' VAL . 48.1 p -105.05 -42.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -149.87 152.86 35.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 59.3 t -130.3 132.98 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -64.96 126.2 27.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 106.84 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.63 49.43 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.05 -177.01 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.5 mm? -51.84 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.521 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.67 67.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.2 t70 177.16 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.8 p -83.6 -41.54 17.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 110.445 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.473 HG22 ' CD2' ' A' ' 33' ' ' LEU . 11.8 m -102.53 -37.24 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.1 -42.13 12.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 67.64 14.38 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.537 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD21 ' CD1' ' A' ' 31' ' ' ILE . 4.4 mt -58.76 171.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.28 156.4 31.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.59 -33.43 0.63 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.473 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 1.1 m-20 -60.37 -179.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 35.8 tt0 -136.8 101.36 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.405 ' O ' HG11 ' A' ' 90' ' ' VAL . 7.7 p -71.71 121.47 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.27 -55.6 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -114.15 156.93 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.654 ' CE3' ' CD2' ' A' ' 121' ' ' LEU . 24.3 t-105 -137.77 97.12 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.78 24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.38 -13.58 56.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.468 ' CB ' HG22 ' A' ' 109' ' ' ILE . 2.8 mmt-85 -83.77 117.81 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 133.39 45.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' HD13 ' A' ' 109' ' ' ILE . 27.9 mt -99.39 -22.28 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -55.41 120.11 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.16 -31.27 6.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.78 148.37 25.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -87.31 172.06 10.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.43 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -48.65 -44.02 37.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' TYR . 2.1 mt-10 -65.96 -62.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.58 -56.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.05 -45.95 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLU . 1.6 t80 -64.04 -57.01 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -42.7 -48.38 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.468 HG22 ' CB ' ' A' ' 96' ' ' ARG . 55.9 mt -48.34 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.518 HG12 ' CE2' ' A' ' 93' ' ' TRP . 5.5 mt -41.83 -28.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -71.57 -63.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.01 -25.51 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -91.91 25.61 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.054 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 1.9 mtpt -71.31 -49.92 11.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -21.04 16.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.4 135.53 1.91 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.53 9.05 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.8 pt20 -132.54 173.08 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' LEU . 3.1 t -145.25 103.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.42 121.17 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.654 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 9.5 mt -107.14 164.96 11.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -147.82 105.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -107.39 146.11 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -130.61 106.01 8.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -109.24 150.15 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.8 p -86.13 120.83 27.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.94 -164.94 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.65 7.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -74.0 -64.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.41 120.47 12.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.21 -59.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.74 168.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.86 119.36 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -171.06 127.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.55 117.57 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.69 -83.07 1.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -96.45 169.56 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.634 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.971 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 68.83 124.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.0 m 65.19 173.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.94 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 61.61 74.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -151.07 132.66 14.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.01 121.05 28.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -39.71 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.1 t -106.5 133.41 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.92 123.0 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -111.11 109.32 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -136.3 151.06 72.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 158.8 42.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -173.93 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.59 51.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.45 -64.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.2 -41.21 1.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -50.91 -30.6 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -97.69 149.17 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.74 123.57 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.5 mm -104.7 105.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.01 126.2 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.71 112.76 25.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 121' ' ' LEU . 3.5 mp -110.35 146.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.82 135.53 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 50' ' ' LEU . 2.8 mt -124.59 142.34 51.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -131.16 141.26 50.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -33.86 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -38.5 112.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD13 ' CA ' ' A' ' 43' ' ' PRO . 5.9 mt -64.92 -176.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -34.26 49.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.94 -37.51 61.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' HA3' ' CZ ' ' A' ' 36' ' ' ARG . . . 88.58 50.42 3.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' VAL . 3.9 m -130.67 7.09 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.5 t 61.12 132.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' CA ' HD13 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.96 -169.14 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' PRO . 19.3 mtm-85 -38.41 -40.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.89 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.25 44.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.9 98.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -51.38 -38.74 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -87.27 18.88 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER 69.28 -60.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 173.35 -32.48 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.577 1.173 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.54 171.88 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -119.19 126.25 51.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.28 146.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.9 t -131.2 112.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.43 -171.44 32.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 11.63 43.05 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.54 120.46 17.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.65 109.99 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -75.37 -166.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.13 -11.68 40.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.38 -6.67 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 7.49 73.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -96.18 158.32 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.9 mt -110.74 143.12 41.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.72 152.47 17.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.58 134.31 36.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.558 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 81.8 m-85 -125.04 147.35 49.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.3 mt -69.81 132.61 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 55' ' ' VAL . 30.8 p -103.78 -48.32 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.81 153.46 38.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.545 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 13.2 t -130.44 107.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.4 tptt -54.93 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.56 106.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.56 17.21 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -116.33 -176.47 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ASP . 6.0 mt -54.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.545 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -70.44 57.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' CG1' ' A' ' 72' ' ' VAL . 2.5 m-20 -162.3 -64.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 12.1 p -84.87 -23.07 29.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 t -106.42 -39.35 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.74 -47.78 5.78 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 80' ' ' THR . 59.1 m-70 76.86 14.4 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 1.6 mt -64.76 176.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 156.39 32.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.12 -14.6 2.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.35 164.4 24.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 41.7 tt0 -115.34 112.47 22.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.68 98.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -63.75 -59.26 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.58 169.45 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 7.8 t-105 -150.73 92.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.6 t-20 78.75 15.89 1.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.18 -7.49 47.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.48 117.58 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.61 127.35 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.442 ' CD2' ' CD1' ' A' ' 109' ' ' ILE . 17.7 mt -95.36 -15.91 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.71 115.91 5.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.7 -19.18 52.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.48 142.58 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 p -81.61 168.81 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -44.55 -47.84 10.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.86 -58.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -38.79 -52.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.4 t -57.7 -51.93 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.1 t80 -58.72 -47.16 85.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 112' ' ' GLU . 28.0 m-80 -48.94 -41.51 34.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLU . 15.1 mt -58.97 -71.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -47.44 -41.47 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.29 -33.97 77.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.9 mm-40 -77.67 -24.55 49.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -97.61 23.64 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -71.53 -54.21 6.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.05 -17.16 19.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 142.86 20.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.2 4.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.777 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' C ' ' CG2' ' A' ' 119' ' ' VAL . 3.5 pt20 -137.3 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 118' ' ' GLN . 8.1 t -151.5 117.11 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -98.97 103.71 15.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 93' ' ' TRP . 2.8 mp -88.06 162.19 16.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' LEU . 42.9 t -148.33 112.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -109.54 163.7 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 27.9 t -150.46 109.18 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 163.14 14.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.9 t -94.79 136.79 34.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -98.5 -162.6 30.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.17 13.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -162.05 -59.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 t -115.43 162.03 17.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -113.08 172.31 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.07 160.37 14.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.0 -130.54 7.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 63.66 127.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.14 170.62 18.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.952 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.75 87.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -174.57 172.03 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 109.591 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.8 p -40.77 142.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -100.22 68.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.47 81.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.4 76.65 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.72 111.13 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -43.24 148.59 0.61 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.633 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -20.42 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -110.97 140.26 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.34 126.38 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 94.8 m95 -120.74 108.89 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 52.7 mm-40 -136.27 151.12 72.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' N ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 158.11 42.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -75.95 -177.31 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -49.46 -52.81 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.47 -66.99 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.09 -21.2 4.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.5 -6.94 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -122.8 147.42 46.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -113.37 135.92 53.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -112.91 100.84 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -93.73 126.42 8.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.83 117.26 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 84' ' ' LEU . 4.3 mp -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 15' ' ' PRO . 3.0 tm? -140.34 142.68 35.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 50' ' ' LEU . 5.0 mt -136.95 145.04 43.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -140.84 141.59 34.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -111.07 -22.77 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' LYS . 75.4 mtm180 -38.34 104.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.84 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.2 74.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.66 50.39 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 4.8 m -133.54 8.91 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.9 t 61.42 134.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' ARG . 18.5 Cg_endo -75.0 -177.34 3.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.59 -46.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.71 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t 65.43 74.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.76 95.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.446 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -56.4 -38.41 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -86.74 16.72 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.953 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER 69.32 -60.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 169.67 -30.47 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -96.65 163.14 13.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.52 131.44 55.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 52' ' ' LEU . 59.4 t -115.19 145.94 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -130.03 112.88 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.59 -177.88 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.21 10.64 62.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.3 ttpt -69.6 118.89 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 tpt -81.47 110.6 17.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 80.8 p -77.35 -172.73 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.37 -20.03 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.23 12.66 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.88 21.67 71.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 155.77 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.3 135.83 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -159.83 152.73 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . . . -91.66 132.01 36.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 68.2 m-85 -126.46 138.31 53.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.75 130.66 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.8 p -104.44 -40.94 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.04 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 14.8 t -141.45 113.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -56.54 113.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -68.97 102.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.48 42.66 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.24 171.42 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.0 mt -40.75 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.534 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.54 69.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 176.21 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.2 p -82.8 -39.58 21.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 15.4 m -103.32 -37.86 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.48 -44.24 11.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 80' ' ' THR . 89.9 m-70 68.63 18.06 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 109.641 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 31' ' ' ILE . 4.8 mt -62.49 171.44 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.35 153.94 31.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.65 -10.84 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.01 176.41 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.3 tt0 -128.59 113.9 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 67' ' ' ALA . 2.6 p -81.23 98.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -61.43 -60.6 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' OE2' ' CD1' ' A' ' 97' ' ' LEU . 2.6 mp0 -115.6 171.79 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.442 ' CE3' HD23 ' A' ' 121' ' ' LEU . 9.3 t-105 -150.29 92.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 107.98 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.422 ' ND2' ' CD ' ' A' ' 116' ' ' GLU . 1.4 t-20 73.93 18.36 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.87 -7.47 41.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.435 ' CD ' HG12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -88.09 121.02 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.443 ' CD1' ' OE2' ' A' ' 92' ' ' GLU . 2.6 tp -74.82 126.1 30.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 109' ' ' ILE . 36.2 mt -94.16 -17.36 22.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -60.77 119.34 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.01 7.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.61 143.31 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 p -81.22 171.13 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -47.76 -44.61 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.3 -59.44 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -39.89 -56.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 56.6 t -52.57 -50.3 40.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.38 -54.23 49.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -41.28 -50.75 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 98' ' ' LEU . 10.3 mt -47.98 -70.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.428 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.1 mt -40.48 -31.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -70.49 -62.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.79 -21.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -93.87 24.53 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.549 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -74.4 -49.77 5.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.06 -32.11 5.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.422 ' CD ' ' ND2' ' A' ' 94' ' ' ASN . 3.8 mt-10 -37.85 136.27 0.77 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -33.02 4.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -132.91 172.32 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.4 t -146.67 113.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -99.66 108.54 20.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.442 HD23 ' CE3' ' A' ' 93' ' ' TRP . 6.9 mt -91.53 162.46 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 91' ' ' LEU . 24.4 t -148.49 110.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -109.4 157.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -140.44 107.98 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 159.65 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.9 t -93.62 137.22 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -101.02 -171.52 28.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.07 16.18 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.5 t -165.08 81.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.2 m -81.03 -56.73 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t 51.42 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 p -161.71 147.26 13.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.29 -143.15 8.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.23 84.79 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -112.12 137.46 50.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.2 -134.35 3.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -174.41 91.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.602 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 t -172.64 156.59 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -122.23 149.86 43.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.558 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.15 75.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -123.98 77.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -130.6 114.99 16.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -52.54 147.25 15.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.625 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.99 2.79 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 11.7 t -99.74 139.07 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -153.16 120.49 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.57 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.9 m95 -108.2 108.22 19.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -131.68 150.73 77.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.49 42.65 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -68.16 -172.07 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -67.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.42 -27.73 3.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.23 -32.79 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -100.86 159.28 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -124.49 112.98 17.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' GLN . 26.1 mm -91.17 107.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -102.29 135.36 12.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -118.13 128.91 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.49 109.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tp -107.45 117.46 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CB ' HD11 ' A' ' 50' ' ' LEU . 1.5 mm? -99.99 141.0 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -132.0 111.08 11.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.73 20.06 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -75.25 124.2 26.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -59.05 176.29 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -51.95 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -21.78 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.71 20.84 20.67 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.4 m -120.23 123.13 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 57.4 t -66.36 141.54 97.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.07 177.76 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -34.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 p30 169.97 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 t -85.18 0.67 51.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.8 77.52 0.25 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -52.98 -33.39 51.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.57 8.24 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD11 ' CB ' ' A' ' 33' ' ' LEU . 2.2 mm? 67.38 -69.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.07 41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 1.3 pp -157.51 170.07 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 134.76 53.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' CG2' HD12 ' A' ' 52' ' ' LEU . 92.2 t -124.71 141.46 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 70' ' ' THR . 2.5 t -119.56 112.67 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.38 33.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.2 10.79 43.04 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -69.4 118.96 12.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.38 109.51 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.4 p -76.16 -162.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.98 -0.91 57.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.91 8.52 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.27 11.25 75.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -94.5 155.57 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.0 mt -113.01 141.14 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 3.0 t -153.97 171.22 19.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.44 126.49 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 32.9 m-85 -123.86 141.08 52.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.9 131.86 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 55' ' ' VAL . 17.8 p -108.24 -21.59 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -163.88 143.69 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.55 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.5 OUTLIER -143.16 107.12 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 9.7 tptt -53.63 92.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.19 108.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.83 11.61 2.87 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.451 ' C ' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -113.57 -167.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.456 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 9.2 mt -61.45 -67.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 84' ' ' LEU . . . -71.32 58.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.505 ' OD2' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -171.99 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.3 p -79.86 -40.3 28.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 33' ' ' LEU . 10.7 m -101.51 -36.98 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.48 -42.19 18.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 98.6 m-70 64.73 38.5 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.475 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 2.6 mt -84.88 -179.93 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -159.4 157.41 26.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.55 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 85.96 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.06 -34.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.138 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.37 -179.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 40.6 tt0 -137.11 101.25 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 54' ' ' VAL . 2.9 p -72.16 115.25 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.2 mt -81.35 -57.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -115.21 162.73 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 121' ' ' LEU . 11.2 t-105 -141.67 95.27 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.11 16.74 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.87 -13.31 32.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -84.68 114.29 21.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 132.64 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 109' ' ' ILE . 25.5 mt -97.21 -23.16 16.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -53.87 116.34 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.83 -33.07 5.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.78 142.84 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.7 p -81.31 172.51 13.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -52.49 -42.37 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -50.57 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -49.43 -61.09 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 72.9 t -45.59 -49.69 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.69 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -43.42 -45.37 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.445 HD13 ' CD2' ' A' ' 98' ' ' LEU . 73.0 mt -51.71 -75.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.48 HG12 ' CE2' ' A' ' 93' ' ' TRP . 6.3 mt -41.57 -28.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 109' ' ' ILE . 0.5 OUTLIER -69.51 -62.03 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.42 -20.03 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.7 p -104.81 26.18 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.7 OUTLIER -70.47 -49.58 15.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -23.96 13.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.23 139.03 0.53 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.466 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.06 -29.32 8.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -138.39 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.543 HG13 ' CZ2' ' A' ' 93' ' ' TRP . 42.0 t -152.89 114.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -96.01 111.25 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.578 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 6.4 mt -95.36 163.36 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.2 t -148.06 104.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.02 144.11 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.9 t -125.06 111.16 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.66 158.54 24.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.1 p -79.98 127.85 32.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.69 -165.26 2.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.24 12.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.3 m -159.87 112.99 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.76 -58.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.84 -67.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -65.11 -58.74 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.8 -128.86 2.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m 60.07 94.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.53 159.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.93 -147.06 7.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.8 m170 61.15 109.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 0.749 . . . . 0.0 109.579 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.47 -56.82 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -42.02 150.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -143.39 79.44 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.35 76.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -137.59 86.7 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -53.36 147.3 19.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.582 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.03 153.25 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.06 123.42 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.7 m95 -109.74 109.06 19.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -136.33 150.47 70.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 156.93 43.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -70.43 -176.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -51.48 54.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -67.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.97 -27.93 3.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -19.11 10.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 0.733 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -114.41 161.7 17.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -127.01 113.77 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 27' ' ' LEU . 10.2 mm -92.22 114.89 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -104.54 138.05 13.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -125.33 126.34 44.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CD1' HD23 ' A' ' 84' ' ' LEU . 3.4 mp -121.71 117.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -111.6 132.37 54.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 81' ' ' VAL . 1.1 mm? -117.0 144.62 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -122.14 134.45 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -105.97 -44.88 4.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -38.48 115.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.68 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -41.57 90.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -44.36 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 50.53 0.28 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 m -155.53 139.35 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -77.41 128.75 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' ARG . 18.5 Cg_endo -74.93 -176.95 3.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.62 -41.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 t70 178.38 93.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t -78.27 55.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 72.79 0.87 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -51.08 -38.98 54.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -88.44 10.78 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 1.4 mm? 69.78 -59.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 158.21 -22.89 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -96.2 167.01 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.51 119.62 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 45.1 t -103.34 146.55 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.4 t -134.96 112.89 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.03 -172.52 26.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.14 8.87 52.35 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -69.22 118.71 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 tpt -81.56 108.15 14.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.5 p -74.25 -174.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.98 -1.43 43.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.56 10.89 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 14.77 71.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 153.0 17.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -111.76 142.18 44.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.1 t -161.45 164.38 29.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -108.87 133.44 52.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 42.4 m-85 -129.85 143.64 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 85' ' ' ARG . 57.0 mt -63.69 127.93 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.9 p -100.28 -47.23 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 145.63 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -138.33 111.13 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -54.48 150.03 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.0 102.96 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.25 32.13 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' LEU . 58.4 p -125.63 163.21 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.6 mm? -40.59 -58.27 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -75.27 57.84 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.461 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 3.6 t70 177.96 -54.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 55.9 p -71.3 -35.24 71.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 33' ' ' LEU . 11.9 m -115.84 -38.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.62 -32.21 34.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 94.7 m-70 48.29 39.24 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 52' ' ' LEU . 5.9 mt -70.52 -172.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 69' ' ' ILE . 33.7 mmt-85 -157.98 149.57 16.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.559 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.95 94.53 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.62 -20.69 0.71 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.43 -177.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 27.2 tt0 -137.01 102.02 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.7 p -72.83 101.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 122' ' ' VAL . 85.6 mt -66.87 -55.92 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -120.66 165.28 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.587 ' CD1' ' CG2' ' A' ' 109' ' ' ILE . 7.2 t-105 -144.14 103.99 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.471 ' OD1' ' CG1' ' A' ' 119' ' ' VAL . 9.0 m-20 62.43 15.77 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.98 -5.65 34.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -92.27 113.3 25.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.91 131.01 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.5 mt -96.9 -21.97 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -57.89 114.01 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.83 -26.46 20.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.21 143.81 54.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -79.98 170.54 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -50.27 -43.51 53.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.38 -54.1 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -44.98 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.6 t -52.49 -45.89 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.58 -54.97 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -40.41 -47.66 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.587 ' CG2' ' CD1' ' A' ' 93' ' ' TRP . 5.2 mt -50.35 -75.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.578 HG12 ' CH2' ' A' ' 93' ' ' TRP . 3.2 mt -41.25 -28.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 109' ' ' ILE . 0.4 OUTLIER -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' ILE . 2.7 mt-10 -66.12 -8.24 22.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.44 1.48 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.552 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 7.3 mttt -59.09 -49.66 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -33.49 4.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.27 135.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -30.99 6.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -131.11 172.66 11.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.471 ' CG1' ' OD1' ' A' ' 94' ' ' ASN . 13.2 t -148.64 107.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.7 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.2 mt -96.12 163.44 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 91' ' ' LEU . 21.2 t -147.66 102.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.1 p -111.66 156.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.6 t -113.17 159.71 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.55 156.52 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.2 p -99.19 101.84 13.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.8 153.55 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 134.51 17.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.78 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.3 p -115.73 163.68 15.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.97 138.18 26.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -174.06 97.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 p -135.15 114.37 12.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.04 89.5 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -70.65 169.1 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.25 141.25 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.14 161.61 19.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.38 70.25 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.585 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.77 147.35 11.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.23 100.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.591 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.2 p -152.66 74.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -127.38 78.38 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.63 97.47 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.04 115.3 5.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -37.59 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.74 149.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.0 124.29 8.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.5 m95 -109.71 108.53 18.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' ILE . 17.5 mm-40 -136.73 149.6 67.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 157.67 43.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.5 p -72.63 -177.06 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -50.11 -52.72 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -73.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.34 -32.53 2.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.8 -21.74 43.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -106.21 158.22 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -124.02 128.33 49.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.2 mm -106.61 112.33 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -105.16 134.17 11.92 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.52 130.0 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CD1' HD21 ' A' ' 84' ' ' LEU . 3.0 mp -126.72 114.61 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -111.42 138.19 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -120.42 145.63 47.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -132.32 131.78 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -29.82 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -39.08 107.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' CA ' ' A' ' 43' ' ' PRO . 6.1 mt -61.76 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.05 -39.63 75.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -35.74 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.66 52.51 3.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -133.76 8.29 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.3 t 61.52 135.0 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.471 ' CA ' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.05 170.06 21.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -48.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.39 79.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -50.87 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.75 89.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.12 -51.37 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.05 8.72 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER 69.75 -58.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 155.24 -21.23 0.56 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.512 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -100.89 153.97 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -107.49 151.38 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 52' ' ' LEU . 73.1 t -141.79 138.41 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 t -118.66 112.39 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.48 -175.56 32.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.81 18.18 59.14 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -77.75 117.87 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.43 ' CE ' ' O ' ' A' ' 63' ' ' GLY . 1.3 tpt -80.77 110.11 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.7 p -78.48 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.437 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.51 -31.18 37.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.56 21.48 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.43 ' O ' ' CE ' ' A' ' 59' ' ' MET . . . 59.73 18.93 47.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -90.45 152.78 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 0.77 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -112.39 136.65 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -155.68 154.3 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.98 122.13 42.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 50.3 m-85 -117.66 143.86 45.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 88.7 mt -64.4 131.44 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.3 p -104.52 -40.0 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.49 142.34 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.543 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p -136.3 113.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.08 142.22 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.38 105.69 17.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.51 23.29 4.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.01 166.69 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.3 mt -43.37 -64.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB1' ' CD1' ' A' ' 84' ' ' LEU . . . -73.17 58.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -179.46 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 36.4 p -84.95 -40.22 17.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 5.4 m -104.97 -39.69 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.11 -36.37 27.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 59.33 42.67 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.613 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 31' ' ' ILE . 7.0 mt -80.37 176.54 9.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -151.59 154.03 32.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.543 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.98 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.84 -18.24 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.11 175.68 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -129.36 103.12 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.3 100.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 122' ' ' VAL . 88.4 mt -64.61 -56.24 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.68 168.13 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.574 ' CE3' HD23 ' A' ' 121' ' ' LEU . 16.2 t-105 -145.93 93.49 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.2 t-20 77.0 20.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.0 52.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -87.34 112.48 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.94 131.4 46.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.41 ' CD2' HD12 ' A' ' 109' ' ' ILE . 23.7 mt -95.78 -22.66 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -54.88 116.08 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.52 -29.83 7.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.96 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -76.4 170.8 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -50.59 -42.77 56.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.57 -51.72 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.62 -49.03 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.41 -46.66 89.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -64.87 -55.07 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 112' ' ' GLU . 60.5 m-20 -43.12 -40.62 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 112' ' ' GLU . 41.8 mt -57.19 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.543 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -46.23 -45.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.67 -35.77 77.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.5 mm-40 -77.02 -35.1 57.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -92.4 25.17 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.52 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 5.9 mtpt -71.24 -51.44 10.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.1 Cg_endo -75.01 -21.21 16.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -42.38 142.31 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.54 6.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -139.93 158.9 43.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.407 HG13 ' NE1' ' A' ' 93' ' ' TRP . 21.9 t -138.23 112.54 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -96.79 106.05 18.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.574 HD23 ' CE3' ' A' ' 93' ' ' TRP . 5.1 mt -86.6 161.51 18.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 91' ' ' LEU . 26.3 t -147.66 103.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.5 p -108.78 158.71 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.446 ' CB ' ' CD1' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -124.2 130.54 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.1 161.0 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.8 p -106.65 115.19 29.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -98.7 -163.88 30.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.96 36.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.3 p -145.23 85.41 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.6 p -52.1 152.24 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 p -156.95 127.71 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.787 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.4 p -49.61 137.56 15.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.41 -65.48 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -87.78 81.82 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -79.58 93.54 5.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.39 123.81 7.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -98.06 128.9 44.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.611 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t 67.75 -70.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER 66.35 177.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.562 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.2 p 42.02 69.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.16 76.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.86 -108.2 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -43.74 117.69 2.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 m -107.61 143.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.407 ' HB ' ' NE2' ' A' ' 19' ' ' GLN . 0.5 OUTLIER -148.83 126.09 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.581 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 89.0 m95 -114.11 109.37 18.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.9 mp0 -136.48 150.59 70.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.6 42.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 174.27 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -55.25 4.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.2 -56.08 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.1 -36.55 3.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.36 -34.65 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -95.86 151.02 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 115.02 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' GLN . 11.9 mm -90.14 117.7 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.581 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.4 139.94 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -121.38 139.91 52.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG2' HD21 ' A' ' 33' ' ' LEU . 2.9 mp -137.64 111.26 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.548 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -114.07 137.19 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.491 HD21 ' CG2' ' A' ' 31' ' ' ILE . 2.1 mm? -124.12 145.97 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -121.3 145.0 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 63.3 mttt -112.04 -48.66 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 56.3 mtt180 -35.78 114.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.91 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -37.5 77.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.09 -43.63 98.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.72 54.61 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -163.85 121.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 90.9 t -54.61 132.55 64.28 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' ARG . 18.4 Cg_endo -74.97 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -36.69 -45.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 47' ' ' GLY . 6.9 t0 176.75 83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.75 67.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 53.68 69.55 1.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -46.74 -53.66 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.6 -16.94 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.508 HD13 ' CH2' ' A' ' 93' ' ' TRP . 1.7 mp 72.72 2.93 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.36 38.87 16.61 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.52 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -152.99 154.37 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.58 150.94 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 52' ' ' LEU . 99.1 t -141.39 138.03 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.66 112.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.19 -168.97 28.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.36 16.32 14.58 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.21 126.53 30.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.28 116.22 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.2 p -86.02 -173.54 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -82.51 -10.4 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -101.67 8.91 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 21.19 76.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -108.43 167.79 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -107.64 138.89 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.3 m -154.32 143.93 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.54 155.59 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -152.74 143.21 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 98.1 mt -70.45 124.43 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 p -95.71 -47.93 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 148.85 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.571 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -144.21 118.07 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -53.99 131.86 41.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -84.22 105.04 14.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.31 20.55 5.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 77' ' ' LEU . 1.5 m -115.08 166.7 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 76' ' ' SER . 1.0 OUTLIER -39.14 -66.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -72.1 59.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t70 177.92 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 22.3 p -85.7 -50.72 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 m -95.98 -36.5 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.32 -43.62 9.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 80' ' ' THR . 99.0 m-70 66.46 45.64 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' A' ' 31' ' ' ILE . 3.6 mt -85.2 174.96 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -153.13 150.99 25.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.571 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.2 Cg_endo -74.96 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.06 -24.44 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.49 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 1.2 m-20 -64.81 -176.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -136.88 105.96 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 37.4 t -71.19 107.13 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 122' ' ' VAL . 66.5 mt -71.77 -59.27 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.12 165.5 13.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.6 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 13.6 t-105 -147.81 92.32 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' GLU . 2.1 t-20 71.72 35.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.49 -7.45 81.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -92.94 114.31 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.01 131.59 43.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 109' ' ' ILE . 15.3 mt -95.55 -22.84 17.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.47 114.18 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.6 -28.27 12.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.76 143.96 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.3 p -78.61 171.42 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -55.06 -41.04 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.49 -43.19 73.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.5 -59.21 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.8 t -45.81 -40.93 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.2 t80 -72.22 -53.02 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 112' ' ' GLU . 73.7 m-20 -45.39 -32.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.445 HD13 ' CD2' ' A' ' 98' ' ' LEU . 50.9 mt -67.73 -68.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.6 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.0 mt -49.18 -33.86 6.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -77.18 -35.92 55.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.4 mm-40 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 m -104.26 25.04 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.5 OUTLIER -74.45 -48.68 5.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -25.4 11.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.59 150.62 0.52 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.505 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.04 -38.28 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.73 159.65 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.449 ' HB ' ' CD2' ' A' ' 50' ' ' LEU . 58.1 t -130.54 111.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER -94.96 127.48 41.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.581 ' HG ' ' CE3' ' A' ' 93' ' ' TRP . 3.1 mp -118.18 162.04 18.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.7 t -147.62 119.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -116.65 144.71 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -126.06 111.98 15.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -114.95 159.76 20.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.5 p -89.78 111.75 22.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.74 -166.87 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 1.52 7.69 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.2 m 64.52 138.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.2 t -88.1 116.99 26.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p -156.02 167.31 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.989 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.47 99.11 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.85 -84.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.55 -69.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.91 108.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.11 114.18 3.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.8 151.74 18.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.592 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t 72.03 -70.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 51.57 87.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.636 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -114.57 72.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -124.73 76.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -138.12 111.03 7.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -51.25 117.35 8.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -31.12 6.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.27 146.54 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.58 125.46 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CH2' HG21 ' A' ' 123' ' ' VAL . 95.1 m95 -112.48 109.42 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -135.45 150.22 71.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 157.5 42.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -70.7 -179.64 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -44.04 66.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -68.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.19 -21.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -23.02 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -111.68 152.2 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.28 113.07 22.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 mm -95.11 119.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.26 131.34 9.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -118.26 112.78 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.747 . . . . 0.0 110.345 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.405 ' CD1' HD22 ' A' ' 84' ' ' LEU . 1.7 mp -103.95 156.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -141.57 142.69 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD23 ' CG2' ' A' ' 81' ' ' VAL . 5.5 mt -133.63 141.41 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -122.18 142.89 49.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 2.5 mtpm? -111.69 -27.66 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HA ' ' N ' ' A' ' 42' ' ' VAL . 62.8 mtm180 -48.75 115.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' ARG . 1.7 mt -52.43 -174.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.86 83.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -49.85 62.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.44 42.24 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -173.51 136.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 109.978 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.535 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 4.4 p -87.63 143.72 34.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.04 164.18 33.79 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -37.39 -49.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.41 121.14 12.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -126.35 -71.77 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.35 68.42 0.53 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . -56.04 -51.58 67.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.26 -0.42 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 1.2 mm? 68.74 -60.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 160.12 -23.33 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -95.96 164.63 12.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.48 121.6 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.46 ' CG2' HD13 ' A' ' 52' ' ' LEU . 44.7 t -107.66 149.89 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 70' ' ' THR . 5.7 t -133.89 112.47 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.64 -170.51 29.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.3 12.26 37.63 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.4 ttpt -72.19 119.51 16.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -83.51 114.51 21.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.4 p -82.34 -167.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -83.31 -13.93 54.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.22 14.19 30.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.42 16.99 61.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -96.16 160.71 14.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.9 mt -115.38 140.12 49.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -157.22 160.88 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.81 124.61 49.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 22.3 m-85 -121.47 142.61 49.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.435 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 68.5 mt -62.72 139.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.456 HG22 ' CG2' ' A' ' 55' ' ' VAL . 37.0 p -112.19 -46.36 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.77 143.88 23.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.566 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -135.85 111.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -54.35 145.96 16.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 104.52 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.25 26.8 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 80' ' ' THR . 56.1 p -123.74 170.84 10.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.4 mm? -41.07 -69.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -68.82 61.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . 7.6 t70 -178.93 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 83' ' ' HIS . 60.9 p -73.03 -28.89 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.376 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 15.3 m -117.45 -40.0 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.51 -35.63 22.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.445 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.6 m-70 50.61 32.54 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.591 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 52' ' ' LEU . 3.0 mt -67.23 -170.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.47 149.86 16.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 93.5 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -25.43 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -179.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -137.09 102.36 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.65 113.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 73.6 mt -79.87 -56.89 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -114.59 163.79 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.552 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 29.1 t-105 -140.55 92.9 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 74.01 12.01 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.12 -15.63 13.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.47 ' CB ' HG23 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -81.6 116.01 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.92 132.17 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.1 mt -99.49 -21.43 15.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -57.94 112.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.46 -35.18 4.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.07 151.0 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.4 p -86.34 173.78 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -53.83 -50.0 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.91 -47.65 84.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.99 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -42.8 -51.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -58.85 -61.24 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -42.16 -48.97 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 96' ' ' ARG . 43.9 mt -47.72 -62.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.552 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.6 mt -51.06 -36.2 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.85 -27.23 66.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.7 mt-10 -81.28 -12.49 59.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.08 11.21 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.532 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -64.47 -50.92 63.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -22.66 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.67 138.88 69.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -35.91 2.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 111.049 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -132.84 167.34 20.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 55.9 t -141.86 118.74 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -101.16 109.7 21.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.491 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 6.8 mp -92.67 165.42 12.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.19 109.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.541 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.53 153.97 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.0 t -143.28 114.6 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 157.19 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p -78.46 126.22 30.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.82 -168.35 0.87 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.49 7.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 t -51.51 -52.24 48.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.7 m -84.74 123.53 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.558 1.161 . . . . 0.0 110.994 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.45 130.21 23.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.967 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -61.51 104.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.26 -84.27 0.21 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.79 114.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.976 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.83 113.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.24 124.49 1.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -105.16 156.05 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.783 . . . . 0.0 109.59 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 0.4 OUTLIER 177.22 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.957 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 9' ' ' SER . 20.3 m80 -159.84 140.92 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 m 65.25 66.51 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.96 79.75 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -117.39 76.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -43.04 149.38 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -102.45 138.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.74 129.47 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.558 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 87.0 m95 -118.7 108.91 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -134.78 152.38 77.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 157.63 42.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -72.05 -176.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.8 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.05 -70.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.67 -36.9 1.84 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.44 -23.6 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -106.12 150.85 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' CD ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -118.97 119.48 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.56 115.02 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -108.66 138.7 14.85 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.097 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -123.37 123.46 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' CD1' HD23 ' A' ' 84' ' ' LEU . 4.1 mp -117.64 114.6 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -111.78 136.18 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 81' ' ' VAL . 2.6 mm? -120.06 145.83 46.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.59 127.57 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -31.85 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -38.22 111.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.93 -170.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -38.33 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -34.29 61.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.11 52.79 3.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -130.46 6.74 4.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 8.1 t 61.26 133.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.02 173.99 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -44.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 85.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.02 88.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.09 88.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -51.34 -49.39 61.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.52 15.94 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER 69.32 -60.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 166.71 -29.22 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -98.29 165.97 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 143.5 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.8 t -128.21 142.44 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.44 114.02 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA3' ' CG2' ' A' ' 106' ' ' VAL . . . -99.03 -166.31 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.59 18.44 10.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.531 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -73.22 122.52 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.47 110.74 13.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.4 p -76.93 -169.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -84.86 -11.12 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.55 16.85 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.1 32.86 85.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.5 mtt-85 -111.0 164.01 13.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -112.8 139.52 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -161.82 156.8 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.34 147.16 27.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 43.4 m-85 -144.25 145.77 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.406 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 97.0 mt -69.59 124.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -93.1 -48.77 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -148.5 154.38 39.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 29.8 t -126.85 135.55 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -72.85 119.23 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 103.43 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.65 41.16 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.53 166.65 22.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 mt -40.62 -64.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.504 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.52 61.68 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t0 176.4 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.6 p -82.84 -39.72 21.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.45 HG22 ' CD1' ' A' ' 33' ' ' LEU . 12.1 m -108.42 -39.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.14 -37.05 22.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 62.44 15.8 8.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.558 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 31' ' ' ILE . 17.4 mt -49.99 167.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -149.62 152.39 34.89 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HA ' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.06 2.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.64 155.16 26.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -107.96 104.21 13.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 p -70.73 95.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 122' ' ' VAL . 16.3 mt -56.83 -59.78 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 38.0 mt-10 -119.11 166.24 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.568 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 12.2 t-105 -142.55 92.52 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 5.0 t-20 78.75 -2.47 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.12 -15.73 5.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HB3' ' CD1' ' A' ' 109' ' ' ILE . 1.0 OUTLIER -78.55 126.25 30.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 tp -78.46 119.71 22.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.52 -14.62 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -64.41 112.13 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.83 -20.91 32.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.89 151.99 10.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -94.97 157.34 15.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -40.23 -46.76 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.8 -50.05 75.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -66.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.475 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 59.1 t -40.22 -54.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.04 -60.63 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' GLU . 24.5 m-20 -46.83 -54.41 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 96' ' ' ARG . 92.8 mt -42.87 -64.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.8 mt -50.78 -36.12 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.5 tp -70.0 -28.98 65.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.7 mm-40 -76.69 -20.4 56.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 15.62 25.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 7.1 mtpt -67.28 -51.9 32.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.5 Cg_endo -74.99 -30.11 7.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 142.99 0.58 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.8 11.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -140.63 167.0 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.5 t -144.24 111.2 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 94' ' ' ASN . 5.6 tt0 -96.12 108.11 20.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.49 HD13 ' CZ3' ' A' ' 93' ' ' TRP . 4.0 mt -90.81 163.19 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.1 t -147.99 104.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.5 OUTLIER -107.01 160.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.474 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 25.7 t -139.86 129.58 24.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.14 155.8 48.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 p -84.68 121.88 28.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.73 -168.21 1.21 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 176.39 9.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.81 78.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.3 m -68.5 166.44 16.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.16 133.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.01 161.05 13.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.86 65.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.44 92.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -133.98 127.62 32.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.08 -166.65 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -131.31 146.61 52.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.553 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.29 -59.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -74.48 155.73 37.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.62 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.0 m -168.33 74.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -125.07 76.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -71.8 -106.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -46.08 122.73 6.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.601 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.24 6.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.2 t -105.02 141.26 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.16 131.39 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.3 m95 -123.89 109.01 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 48.6 mm-40 -140.13 153.5 69.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -71.07 -173.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.944 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -40.15 78.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.8 -72.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.99 -23.96 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.11 -28.87 69.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -103.46 161.18 14.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -127.18 107.07 9.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.2 mm -84.25 124.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -126.87 134.67 8.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.05 150.43 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 121' ' ' LEU . 2.6 mp -143.21 117.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -116.22 133.98 55.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CG ' HD21 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -118.47 145.51 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -125.95 97.94 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.36 26.13 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -83.94 157.58 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 41' ' ' SER . 16.3 mt -82.94 -172.89 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -67.42 -52.35 40.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -52.04 -41.09 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.01 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 16.5 m -140.52 122.39 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -52.15 140.01 33.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 -172.12 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.515 1.798 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -36.24 -44.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -151.86 -67.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 78.03 40.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.043 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 48.54 68.44 1.28 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.3 -24.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -68.21 -6.17 22.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.535 HD21 ' CG ' ' A' ' 33' ' ' LEU . 2.0 mp 69.22 -60.37 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 145.01 40.77 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -158.81 150.48 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.64 133.06 53.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 52' ' ' LEU . 25.1 t -118.92 146.43 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.4 HG23 ' CG2' ' A' ' 70' ' ' THR . 3.2 t -130.71 112.56 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -104.28 -166.72 24.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 52.84 19.85 7.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.1 ttpt -77.32 123.1 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.82 115.63 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -91.81 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -86.68 -21.64 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.4 p -80.33 -6.51 58.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.51 22.42 62.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -117.94 168.26 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.0 mt -106.82 135.19 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -143.76 147.32 34.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.15 133.44 42.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CD1' ' HG3' ' A' ' 89' ' ' GLU . 15.4 m-85 -133.25 145.59 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 87.9 mt -68.18 138.13 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.4 ' CG2' HG23 ' A' ' 55' ' ' VAL . 65.7 p -110.4 -45.09 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.15 146.14 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -141.0 114.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -53.97 129.38 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.66 104.62 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.428 ' C ' ' CG2' ' A' ' 80' ' ' THR . . . 115.72 22.99 4.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.56 177.62 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.47 -60.87 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . . . -75.06 58.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -177.71 -53.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 32.6 p -76.06 -41.1 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' CD1' ' A' ' 33' ' ' LEU . 13.7 m -107.81 -38.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.66 -37.18 31.14 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 54.37 43.18 30.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 78' ' ' ALA . 5.2 mt -80.37 -174.54 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -157.86 147.62 15.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.572 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.04 86.9 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.96 -30.02 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.472 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 2.7 m-20 -54.76 -176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.525 ' HG3' ' CD1' ' A' ' 68' ' ' PHE . 33.3 tt0 -137.96 101.37 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -73.34 116.44 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.3 mt -84.49 -58.03 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -112.99 160.72 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.578 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 5.8 t-105 -144.83 92.25 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.4 t-20 71.85 27.16 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.33 -13.37 61.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -83.81 114.85 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 131.04 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 109' ' ' ILE . 14.9 mt -98.45 -21.17 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.42 114.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.49 -23.51 18.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.17 138.95 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.2 p -76.19 169.85 17.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.6 -38.32 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.89 -44.74 54.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -55.09 -50.97 67.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.15 -39.79 74.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.99 -47.6 61.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' GLU . 27.3 m-80 -49.43 -33.05 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 98' ' ' LEU . 10.8 mt -66.24 -72.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.578 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.7 mt -46.89 -36.56 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.28 -37.79 68.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.1 mm-40 -73.56 -27.33 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.8 m -92.25 24.59 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -70.53 -50.4 14.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.97 -27.59 9.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.69 144.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.496 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.03 -32.89 4.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -139.32 162.18 35.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.563 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 93.0 t -133.73 120.39 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -105.73 132.0 52.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' ILE . 5.0 mp -118.87 163.39 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.6 t -145.54 111.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -110.35 143.29 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.0 t -111.89 109.46 19.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.57 162.34 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.5 p -103.61 103.13 13.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 60.12 153.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.17 31.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 m 55.73 85.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 76.0 p -76.05 147.47 38.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.955 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -123.13 87.15 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 m -42.82 107.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.42 78.43 1.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 p -168.95 124.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -173.79 101.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 8' ' ' HIS . . . 71.04 -108.13 2.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 3.7 t-160 80.57 -63.98 0.19 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 0.756 . . . . 0.0 109.593 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.6 m -109.27 133.45 53.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -174.94 -62.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 p -105.71 77.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.91 77.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.16 -155.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -63.27 147.03 95.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' CA ' ' HB3' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -22.37 14.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -114.26 138.52 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.96 133.64 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CH2' ' CG2' ' A' ' 123' ' ' VAL . 91.8 m95 -130.07 109.2 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.477 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 29.4 mm-40 -136.85 153.43 75.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' N ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.15 41.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.6 p -79.04 -176.68 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -48.91 -48.96 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.7 -66.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.18 -32.1 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 127' ' ' GLY . 1.0 OUTLIER -50.63 -37.21 39.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -99.32 140.51 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -107.95 111.91 24.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' GLN . 7.9 mm -88.25 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.34 134.49 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 104.25 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.504 ' CD1' ' CG2' ' A' ' 123' ' ' VAL . 2.8 mp -92.04 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 33' ' ' LEU . 1.7 tm? -137.86 130.13 29.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.608 ' HB2' ' CG1' ' A' ' 119' ' ' VAL . 21.7 mt -121.52 145.11 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -121.27 169.95 10.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ARG . 6.8 mttp -137.42 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' NH1' ' CA ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -38.16 132.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.75 -172.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -37.69 84.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.29 -43.26 99.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' NH1' ' A' ' 36' ' ' ARG . . . 115.54 55.52 0.36 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -164.48 139.99 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -75.34 126.61 87.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 177.95 7.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -44.65 -28.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.36 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -73.56 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.67 88.81 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -60.52 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.63 4.96 33.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 50' ' ' LEU . 2.2 mm? 68.76 -61.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.23 -30.15 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -95.95 168.17 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 109.232 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.3 138.13 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 52' ' ' LEU . 87.2 t -114.24 145.91 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.433 ' CG2' HG22 ' A' ' 70' ' ' THR . 3.5 t -129.56 112.8 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -104.42 -165.63 24.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.14 18.38 9.24 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -75.56 126.28 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.96 115.45 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -86.41 -167.64 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.99 5.5 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.87 9.79 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.28 20.53 73.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -109.56 174.92 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.8 mt -112.73 142.02 45.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 78.4 m -152.5 153.4 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -150.36 145.0 25.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.429 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 98.2 mt -67.99 130.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.433 HG22 ' CG2' ' A' ' 55' ' ' VAL . 18.0 p -98.96 -51.53 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -148.03 144.17 27.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.59 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -135.25 112.15 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -53.99 138.95 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.63 103.37 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.06 27.73 2.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.91 -175.15 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.46 -58.31 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -79.08 64.44 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.422 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 16.5 t70 178.01 -52.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.481 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 23.8 p -90.12 -24.31 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.7 -37.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.58 -36.72 6.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 95.1 m-70 57.02 36.18 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.63 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 31' ' ' ILE . 8.3 mt -70.53 -170.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -159.16 142.9 10.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.59 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.95 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.29 -25.24 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.77 167.65 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -115.71 107.31 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.413 ' CG1' HD13 ' A' ' 98' ' ' LEU . 43.7 t -71.16 110.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.4 mt -73.9 -57.34 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -129.69 159.36 36.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.593 ' CD2' HD22 ' A' ' 121' ' ' LEU . 5.1 t-105 -135.26 96.43 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.7 t-20 73.46 20.06 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.45 46.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -90.09 112.44 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 133.37 48.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 109' ' ' ILE . 22.9 mt -96.11 -24.41 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.28 113.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.19 -31.4 7.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.103 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.33 141.61 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.4 p -73.29 173.81 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.07 -35.46 75.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -76.57 -43.53 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -54.65 -59.87 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.7 t -47.64 -46.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.44 -52.23 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 112' ' ' GLU . 37.1 m-20 -49.89 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 98' ' ' LEU . 96.9 mt -47.9 -65.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.557 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.4 mt -52.12 -27.37 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 tp -77.6 -27.66 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ILE . 0.9 OUTLIER -81.75 -13.88 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 m -97.35 12.9 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -65.74 -52.85 39.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -32.1 5.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.28 146.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.455 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 -39.15 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -131.1 -177.5 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.608 ' CG1' ' HB2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -154.54 106.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.593 HD22 ' CD2' ' A' ' 93' ' ' TRP . 24.3 mt -91.9 164.69 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.8 t -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.504 ' CG2' ' CD1' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -131.47 153.22 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.8 t -144.14 111.52 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.95 162.85 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 p -100.38 113.1 25.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -76.8 -163.15 16.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.4 m -117.18 104.94 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.957 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.27 90.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.68 167.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.5 121.38 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.9 -72.63 0.4 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.88 129.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.8 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -156.64 147.87 22.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.2 108.99 0.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.1 173.78 12.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -96.29 160.58 14.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.81 153.22 40.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.568 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.1 77.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -119.81 77.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.1 -109.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -89.17 145.33 34.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.59 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.06 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.71 144.18 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.12 122.51 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.543 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 97.0 m95 -112.58 109.35 18.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -135.74 149.61 69.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.1 43.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.1 p -69.42 -170.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -45.68 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -72.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.19 -30.96 2.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 127' ' ' GLY . 47.1 m-20 -54.91 -29.75 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -101.63 159.36 15.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -125.97 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' GLN . 19.7 mm -92.73 117.28 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -114.03 136.6 13.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -125.99 115.1 19.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.7 mp -99.02 158.81 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.4 tm? -141.19 140.73 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 119' ' ' VAL . 5.2 mt -133.96 142.38 47.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -124.28 153.3 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -118.53 -41.74 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -40.6 115.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.82 174.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -49.56 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.78 -45.52 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 45.04 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.4 p -145.07 131.88 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.95 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.0 t -74.56 132.21 78.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.42 18.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.66 -33.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 103.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.61 43.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 87.62 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -52.74 -52.64 55.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.5 13.08 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 67.1 -73.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.56 39.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -157.67 157.57 33.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -105.87 135.21 47.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 67' ' ' ALA . 89.8 t -124.51 146.94 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 103' ' ' PHE . 2.4 p -135.66 112.71 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.68 -172.63 26.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.8 11.41 36.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.8 OUTLIER -72.46 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.4 ' SD ' HD23 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -76.24 114.38 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -84.84 -164.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.68 -20.7 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 9.03 36.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.037 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.76 19.03 72.89 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -101.06 165.93 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 59.2 mt -115.78 137.77 51.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.34 158.42 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.325 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . . . -90.95 133.37 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' A' ' 89' ' ' GLU . 80.8 m-85 -122.53 145.87 47.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 89.7 mt -84.62 122.41 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.409 ' CG2' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -91.14 -45.91 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.16 160.66 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 40.8 t -138.28 117.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' GLY . 3.9 tptm -54.54 141.08 32.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 102.84 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.18 44.73 1.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 m -137.39 172.95 12.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 79' ' ' ASP . 4.4 mm? -42.86 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.528 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -68.86 63.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 77' ' ' LEU . 4.3 t70 175.24 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.2 p -76.12 -27.88 57.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 5.3 m -118.89 -40.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 -45.02 8.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 69.56 9.42 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.468 HD12 ' CD2' ' A' ' 52' ' ' LEU . 9.3 mt -46.61 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -149.47 153.69 37.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HA ' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 107.63 2.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.47 -27.01 1.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 0.6 OUTLIER -67.71 -178.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 42.4 tt0 -135.26 110.12 8.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.547 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 21.4 t -75.37 123.8 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.548 ' HB2' ' CG2' ' A' ' 122' ' ' VAL . 12.5 mt -95.05 -59.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 122' ' ' VAL . 38.3 mt-10 -113.65 148.77 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 7.2 t-105 -136.06 93.87 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 74.28 17.33 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.32 -10.83 43.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -84.26 113.64 21.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 tp -66.72 132.87 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 67' ' ' ALA . 35.8 mt -100.76 -20.96 15.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -60.0 117.1 4.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.56 -33.11 5.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.04 144.09 55.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.1 p -76.14 175.8 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.473 ' CE1' HG21 ' A' ' 55' ' ' VAL . 89.7 t80 -58.74 -48.18 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.42 -42.12 99.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -60.33 -55.42 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 36.3 t -53.56 -40.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.8 -54.23 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -42.35 -41.51 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.435 HD13 ' CD2' ' A' ' 98' ' ' LEU . 4.7 mt -55.12 -67.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.574 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.1 mt -46.01 -27.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -74.79 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.37 -21.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.18 25.01 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 5.3 mtpt -73.35 -50.94 6.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.97 -25.1 12.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.9 141.88 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.49 6.19 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -142.0 170.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' ' 93' ' ' TRP . 3.0 t -144.04 122.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -104.49 106.13 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.566 ' HG ' ' CE3' ' A' ' 93' ' ' TRP . 1.9 mp -98.78 161.38 13.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.548 ' CG2' ' HB2' ' A' ' 91' ' ' LEU . 1.3 m -145.77 139.85 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.467 HG23 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -134.39 142.72 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 t -106.23 125.84 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.4 163.38 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.0 p -114.07 104.46 12.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -77.87 -166.2 27.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.53 4.05 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.6 p -121.04 153.67 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.0 t -58.73 146.68 35.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.097 . . . . 0.0 110.961 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 p -122.94 143.46 49.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.998 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.94 162.11 28.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.46 126.24 7.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -176.52 82.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -172.93 155.06 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.85 -75.43 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 52.53 98.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.603 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.4 p -101.68 139.37 37.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -106.48 175.27 5.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.578 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.75 75.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.02 78.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -116.21 141.09 27.27 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.618 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.14 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 m -100.65 143.85 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.44 123.93 10.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 86.6 m95 -109.55 109.32 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.7 mp0 -133.68 150.4 74.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.41 41.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.056 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -76.47 172.7 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -51.0 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -64.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.77 -30.28 3.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -51.62 -24.48 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' NH2' ' HB3' ' A' ' 126' ' ' SER . 3.9 mmt180 -111.99 155.29 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.79 119.08 31.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' GLN . 15.9 mm -94.54 110.6 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.557 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.26 135.62 12.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.02 135.41 54.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 84' ' ' LEU . 4.0 mp -131.52 111.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -108.8 116.3 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.482 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -103.71 145.43 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 118' ' ' GLN . 12.7 t-20 -136.62 123.67 21.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.82 -28.67 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -39.0 106.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -51.2 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -49.86 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.16 -37.37 54.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.65 48.4 0.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.1 m -155.23 136.01 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.947 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 95.4 t -75.78 135.87 70.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.41 -33.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.84 78.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -53.08 -56.02 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 178.5 70.43 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.158 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -49.3 -46.19 46.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.98 -14.92 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.969 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.581 HD13 ' CH2' ' A' ' 93' ' ' TRP . 1.8 mp 68.85 7.26 6.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.05 44.78 44.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.511 HD11 ' CG2' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -157.71 155.63 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.557 ' CD ' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -115.8 144.71 43.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.557 ' N ' ' CD ' ' A' ' 53' ' ' LYS . 57.3 t -134.82 143.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG12 ' CG2' ' A' ' 70' ' ' THR . 5.7 p -124.47 111.09 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.49 -174.62 32.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.96 14.65 17.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.48 119.06 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.88 112.51 13.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 p -83.37 -166.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.461 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.24 -8.09 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.22 -4.39 35.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.13 7.97 84.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.74 158.42 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.4 mt -107.59 144.14 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -158.61 152.54 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.494 ' HB1' ' CG1' ' A' ' 90' ' ' VAL . . . -87.28 135.48 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 96.3 m-85 -127.22 138.09 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.0 mt -74.53 124.81 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.523 ' CG2' HG12 ' A' ' 55' ' ' VAL . 21.8 p -94.14 -45.05 7.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -151.21 155.9 39.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 47.8 t -131.38 130.83 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -61.41 112.53 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 104.43 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.7 45.75 1.74 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -139.49 170.24 16.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mt -43.76 -65.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.68 61.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t0 176.95 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 29.1 p -87.5 -41.47 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.9 m -103.51 -37.38 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.27 -36.18 24.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 80' ' ' THR . 87.7 m-70 64.36 18.59 11.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 31' ' ' ILE . 12.7 mt -59.72 166.91 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 158.73 32.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 111.59 3.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.82 -20.85 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CG ' HG23 ' A' ' 123' ' ' VAL . 1.2 m-20 -70.96 175.11 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 43.2 tt0 -129.81 104.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.494 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 2.4 p -73.66 100.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -62.79 -61.59 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' OE2' ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -113.18 175.01 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.581 ' CH2' HD13 ' A' ' 50' ' ' LEU . 12.2 t-105 -150.79 94.72 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 107.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.46 16.2 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.87 -7.61 35.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 mmt-85 -89.64 125.01 35.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.423 ' CD1' ' OE2' ' A' ' 92' ' ' GLU . 1.7 tp -75.47 128.46 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.9 mt -95.5 -17.94 21.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -62.5 119.82 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.95 -41.49 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 143.6 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 p -75.33 174.18 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.02 -48.16 82.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.28 -41.81 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.17 -51.75 67.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.7 t -52.31 -43.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 2.9 t80 -63.01 -47.13 84.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -51.63 -33.2 32.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.6 mt -68.98 -52.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.538 HG12 ' CE2' ' A' ' 93' ' ' TRP . 5.9 mt -63.23 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.427 HD22 ' CD ' ' A' ' 114' ' ' LYS . 1.6 tm? -71.95 -32.5 67.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.5 -22.98 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -94.42 24.75 4.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 4.5 mtpp -72.77 -48.08 8.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.93 -4.56 15.59 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -72.64 135.07 81.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.48 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.96 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.457 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 16.0 mt-30 -122.24 174.1 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 118' ' ' GLN . 60.0 t -155.18 103.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -92.15 107.9 19.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 119' ' ' VAL . 6.9 mt -93.22 162.25 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 91' ' ' LEU . 22.5 t -147.71 111.57 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -111.57 160.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.424 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 12.3 t -140.95 107.2 5.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.23 165.44 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.401 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p -92.33 116.03 28.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.93 153.13 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.95 11.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.4 t -50.63 137.56 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.2 m -70.4 105.55 3.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 111.012 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.29 82.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -121.92 122.84 40.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.035 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.48 -62.02 0.3 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.59 138.47 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.961 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -152.64 134.14 14.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.98 90.93 1.08 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.73 153.09 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.21 155.84 41.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -46.56 127.22 9.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.602 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.85 79.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.39 77.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.07 81.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -43.58 148.17 0.73 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.634 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.29 2.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -103.28 154.38 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.79 120.23 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.433 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.543 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.1 m95 -106.78 109.41 21.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -133.69 150.84 75.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.17 42.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.7 p -70.77 -173.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -43.74 85.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.82 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.55 -21.86 3.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.577 1.173 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -65.18 -35.45 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -95.13 164.99 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.83 119.02 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mm -98.26 111.0 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.3 146.57 16.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -128.54 127.86 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.502 ' CD1' HD21 ' A' ' 84' ' ' LEU . 3.7 mp -119.11 108.2 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.83 123.25 35.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -110.89 122.77 48.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -98.55 168.11 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.8 mtpp -142.66 -46.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.1 mtt180 -37.99 111.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.48 -139.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -43.91 21.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -26.6 60.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.43 53.9 5.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -125.86 1.59 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 41' ' ' SER . 40.5 t 59.96 129.23 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -75.02 158.55 42.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -52.84 9.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.86 -77.41 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 7.4 p 69.32 57.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.9 75.56 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -56.75 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.3 11.5 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD11 ' CG ' ' A' ' 33' ' ' LEU . 1.6 mm? 68.58 -61.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.94 -31.74 0.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD2' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -96.16 171.35 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 107.07 12.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.405 HG13 ' CG1' ' A' ' 90' ' ' VAL . 47.9 t -89.55 140.53 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -122.36 112.54 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.16 -175.45 28.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 62.73 12.01 39.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.98 130.55 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.439 ' SD ' ' CD2' ' A' ' 65' ' ' LEU . 1.2 tpt -91.67 111.89 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.3 p -80.52 -162.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.61 0.41 56.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.99 6.71 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.43 6.36 70.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.85 160.26 15.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.439 ' CD2' ' SD ' ' A' ' 59' ' ' MET . 43.9 mt -112.58 143.51 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.1 t -160.45 159.38 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.58 127.86 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 44.9 m-85 -124.03 142.24 51.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.77 133.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.5 p -104.69 -51.51 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -144.55 149.99 36.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 61.7 t -126.83 118.68 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 132.58 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 102.63 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 47.48 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 77' ' ' LEU . 50.4 m -138.6 164.35 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 3.9 mm? -39.16 -61.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.514 ' O ' ' CG1' ' A' ' 72' ' ' VAL . . . -72.11 59.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 176.42 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.551 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 24.0 p -76.78 -42.25 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 33' ' ' LEU . 16.1 m -107.65 -40.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.32 -42.06 12.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.551 ' CE1' ' O ' ' A' ' 80' ' ' THR . 53.2 m-70 65.3 10.96 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.597 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 31' ' ' ILE . 8.2 mt -48.21 173.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -153.64 156.12 32.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.1 -25.58 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -179.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.25 107.48 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.405 ' CG1' HG13 ' A' ' 54' ' ' VAL . 2.8 p -74.46 101.77 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 124' ' ' SER . 49.4 mt -64.0 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -115.44 162.58 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CD2' ' CD2' ' A' ' 121' ' ' LEU . 5.7 t-105 -141.16 96.32 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.8 t-20 70.39 25.72 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.49 -9.14 60.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.472 ' CB ' HG23 ' A' ' 109' ' ' ILE . 13.9 mmt180 -88.77 118.77 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.3 132.93 42.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.439 ' CD2' HD11 ' A' ' 109' ' ' ILE . 14.6 mt -98.68 -22.22 16.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -57.22 114.08 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.44 -27.32 15.94 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.92 144.13 49.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.5 p -79.31 172.15 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.401 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 60.2 t80 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.24 -50.79 59.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.47 -60.56 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.0 t -46.05 -51.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -58.47 -60.72 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.1 m-80 -40.2 -50.03 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.472 HG23 ' CB ' ' A' ' 96' ' ' ARG . 90.9 mt -47.96 -65.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -46.87 -40.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tp -67.85 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.3 mt-10 -74.39 -5.05 40.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -112.77 12.88 19.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 22.0 mtpt -65.85 -51.98 44.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.94 145.03 0.58 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.63 9.81 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -146.84 176.86 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.507 ' CG2' HD21 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -149.55 111.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.06 102.89 14.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.629 ' CD2' ' CD2' ' A' ' 93' ' ' TRP . 16.4 mt -93.11 165.08 13.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.7 t -143.55 126.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.457 ' CG2' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -118.55 146.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 32.4 t -125.33 127.09 46.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -137.98 162.02 35.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 p -90.48 122.11 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.78 152.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.25 42.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.0 m -69.54 170.92 9.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.032 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.7 t -137.93 157.71 45.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -98.71 152.57 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.998 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -136.49 -59.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.38 154.95 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -112.08 -61.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -50.36 -58.74 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.12 85.94 0.08 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -73.28 123.73 24.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.596 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.43 -67.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.11 -73.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.0 p -175.69 77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -114.79 71.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.64 100.95 10.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.662 ' CE1' ' CG2' ' A' ' 17' ' ' THR . 0.6 OUTLIER -45.27 113.89 2.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.597 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -23.67 13.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.766 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.75 142.27 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.662 ' CG2' ' CE1' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -151.54 121.34 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.2 m95 -111.21 109.59 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.94 150.93 74.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' CA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 p -64.57 -175.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -52.87 57.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -74.85 -81.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.78 46.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.15 -41.91 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -107.57 142.44 37.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -102.28 107.35 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.8 mm -85.32 122.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -117.62 118.36 4.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -111.46 107.69 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.94 156.32 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -141.56 143.58 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 81' ' ' VAL . 3.2 mt -134.47 145.26 48.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -133.42 132.48 41.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -115.86 -10.5 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -41.06 132.03 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.88 -172.18 2.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -58.52 -31.41 67.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.09 -31.78 27.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.43 48.44 4.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' VAL . 16.2 m -128.67 5.22 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 36.8 t 60.34 132.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 164.19 33.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -38.48 -51.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.93 107.57 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -103.83 -70.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.11 80.11 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.81 -60.09 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.26 3.84 53.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 33' ' ' LEU . 1.8 mm? 68.75 6.78 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.7 -13.13 65.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -103.17 163.39 12.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -120.45 142.9 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG11 ' CG1' ' A' ' 90' ' ' VAL . 75.6 t -131.56 136.62 56.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.5 t -114.66 113.05 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.61 -167.7 32.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 53.58 18.93 8.36 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.8 ttpt -71.1 120.8 17.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.25 115.86 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.3 p -85.12 -171.01 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -86.16 -6.39 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.51 15.22 24.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.61 71.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.1 167.69 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.9 mt -109.48 143.98 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 m -152.03 165.01 36.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.41 143.53 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 31.6 m-85 -144.48 144.24 31.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 87.8 mt -63.86 140.79 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 55' ' ' VAL . 30.9 p -111.89 -46.38 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 144.85 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.567 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.84 109.63 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -53.61 149.28 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 108.34 19.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.465 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.08 19.59 5.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -111.06 171.6 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 4.4 mt -44.76 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.442 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.81 59.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -169.36 -52.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.555 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 30.8 p -86.53 -38.64 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 33' ' ' LEU . 16.5 m -104.94 -38.87 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.677 ' C ' HD21 ' A' ' 84' ' ' LEU . . . -79.17 -45.86 8.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.555 ' CE1' ' O ' ' A' ' 80' ' ' THR . 95.8 m-70 64.03 34.01 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.677 HD21 ' C ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -71.99 -172.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -160.07 150.81 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.567 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.93 90.77 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.46 -37.59 0.25 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.444 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 3.4 m-20 -50.4 179.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 0.727 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' OE2' ' CZ ' ' A' ' 68' ' ' PHE . 53.7 tt0 -136.77 100.83 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.458 ' CG1' HG11 ' A' ' 54' ' ' VAL . 7.2 p -74.95 123.69 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.4 mt -91.57 -54.26 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -111.7 160.02 17.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 18.2 t-105 -142.81 92.14 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.1 t-20 76.85 13.85 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.73 -10.57 30.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.473 ' CB ' HG21 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -86.13 118.85 25.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.73 131.32 44.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 109' ' ' ILE . 26.0 mt -97.07 -22.56 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -56.94 117.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.25 -31.16 7.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.18 143.95 51.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 p -81.08 167.04 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -46.04 -47.34 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.95 -54.4 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.59 -56.31 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 83.8 t -50.96 -51.7 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ASN . 7.1 t80 -59.05 -58.48 8.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' TYR . 41.6 m-20 -40.23 -48.54 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.473 HG21 ' CB ' ' A' ' 96' ' ' ARG . 30.9 mt -51.03 -56.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.2 mt -56.14 -23.72 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.42 -25.26 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.12 -18.12 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -95.04 7.66 45.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -58.68 -51.87 78.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.01 -30.54 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.83 145.84 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.48 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -33.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.6 pt20 -136.41 179.05 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.4 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 22.0 t -147.46 108.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.07 122.35 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.555 HD23 ' CE3' ' A' ' 93' ' ' TRP . 8.1 mt -106.01 161.4 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -148.68 102.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -108.91 143.94 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -116.12 117.62 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.3 163.89 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.8 122.75 44.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.89 -176.17 26.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 140.06 25.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.546 1.814 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.7 t -150.93 -53.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.5 p -160.65 86.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 111.022 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -76.24 103.62 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -174.8 144.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.75 112.17 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -150.07 132.14 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 110.005 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.6 157.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.73 -174.48 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -144.6 61.99 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 109.623 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 t -134.14 81.56 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.59 164.92 31.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.545 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 m -103.87 171.14 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t0 65.41 70.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -55.66 -94.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.4 147.68 66.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.626 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.69 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 81' ' ' VAL . 1.1 m -97.76 147.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -149.74 122.56 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 89.9 m95 -117.67 109.07 16.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 19.6 mm-40 -140.21 152.31 66.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' CA ' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.04 164.1 33.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -64.75 170.1 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -42.75 -57.1 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.54 -70.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.76 43.26 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.31 -45.27 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -100.05 148.8 24.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -101.68 128.31 48.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -109.26 99.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -95.53 126.17 8.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -119.91 116.08 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.472 ' CD1' HD23 ' A' ' 84' ' ' LEU . 3.8 mp -107.24 136.95 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -128.7 134.06 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CB ' HD11 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -119.65 145.11 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -116.16 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' NZ ' ' CG2' ' A' ' 119' ' ' VAL . 0.4 OUTLIER -111.23 -19.55 12.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 7.1 mtp-105 -65.2 115.64 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -68.93 -143.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -48.89 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -42.7 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 36' ' ' ARG . . . 94.71 44.11 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.752 ' O ' ' O ' ' A' ' 42' ' ' VAL . 59.9 m -140.65 0.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.752 ' O ' ' O ' ' A' ' 41' ' ' SER . 5.3 p 48.27 143.97 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.553 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 166.25 29.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -38.16 -50.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -150.96 111.38 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.0 44.71 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 62.32 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -53.13 -32.37 47.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.58 5.01 25.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD11 ' CB ' ' A' ' 33' ' ' LEU . 2.6 mm? 68.68 -59.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 153.49 -20.99 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -97.14 159.14 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.01 144.65 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' HD21 ' A' ' 52' ' ' LEU . 75.3 t -135.71 138.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.403 HG22 ' CG2' ' A' ' 70' ' ' THR . 12.4 t -114.32 112.28 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.32 -173.29 34.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 64.75 9.5 39.47 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 129.42 39.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.14 123.48 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.1 p -95.45 -163.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.78 -28.93 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 p -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.78 -15.48 48.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -79.37 142.78 35.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -89.86 148.33 23.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -154.45 164.18 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.17 144.73 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 41.7 m-85 -140.19 149.41 42.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 86' ' ' PRO . 86.3 mt -69.4 140.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.403 ' CG2' HG22 ' A' ' 55' ' ' VAL . 32.7 p -116.43 -34.03 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.28 142.52 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.72 112.65 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -55.68 148.67 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.57 109.64 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 113.9 21.89 5.51 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.08 166.1 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -43.08 -60.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 52' ' ' LEU . . . -74.54 57.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -179.91 -51.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.476 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 41.2 p -75.97 -34.51 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 77' ' ' LEU . 6.9 m -114.76 -38.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.31 -31.79 33.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.452 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.4 m-70 48.27 35.09 5.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 31' ' ' ILE . 6.4 mt -66.65 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -158.54 150.67 17.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.563 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.06 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.34 42.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.503 ' OD2' ' CG1' ' A' ' 123' ' ' VAL . 0.4 OUTLIER -126.77 -178.32 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -134.71 105.47 6.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 t -76.72 119.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 99.2 mt -81.04 -55.69 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -125.36 160.64 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.58 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 14.4 t-105 -136.66 92.49 2.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.3 t-20 72.19 24.49 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.34 -15.83 46.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.454 ' CB ' HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -83.32 113.02 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.33 132.0 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.441 ' CD2' HD11 ' A' ' 109' ' ' ILE . 19.6 mt -95.03 -23.44 17.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -53.61 115.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.087 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.06 -32.31 6.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.05 142.24 25.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.9 p -77.33 177.16 8.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.41 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 17.0 t80 -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.0 -37.74 78.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.29 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.2 t -47.19 -49.62 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -59.41 -51.72 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -51.83 -44.87 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' A' ' 96' ' ' ARG . 60.3 mt -50.95 -62.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.58 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -52.12 -26.3 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.63 -27.87 37.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.4 mt-10 -70.6 -31.82 68.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 p -90.76 24.82 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.459 ' CB ' ' HD3' ' A' ' 115' ' ' PRO . 0.2 OUTLIER -61.0 -57.24 27.76 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.91 135.74 0.8 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.11 16.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.84 170.73 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.486 ' CG2' ' NZ ' ' A' ' 35' ' ' LYS . 48.0 t -145.36 125.07 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 94' ' ' ASN . 3.4 tt0 -108.89 118.46 36.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.574 HD11 ' CE3' ' A' ' 93' ' ' TRP . 3.8 mp -104.69 161.62 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -147.24 118.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.503 ' CG1' ' OD2' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -119.33 146.93 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.0 t -115.2 123.32 48.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 160.5 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 127' ' ' GLY . 11.0 p -107.25 108.72 20.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 126' ' ' SER . . . -41.7 165.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.72 15.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.1 t -173.87 130.41 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 52.74 96.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.527 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.99 -45.1 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 81' ' ' VAL . 23.5 t -102.11 133.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.79 125.91 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.52 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 90.2 m95 -118.14 108.71 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -132.94 150.56 75.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.554 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 160.96 39.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -77.21 -177.51 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.22 -43.65 64.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -73.25 -65.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.23 -34.11 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.17 -20.01 16.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -110.56 152.09 26.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -121.17 120.56 35.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.78 106.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -98.4 127.19 9.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.03 117.6 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.781 HD13 HD21 ' A' ' 84' ' ' LEU . 4.0 mp -111.37 151.87 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.3 tm? -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 HD12 ' A' ' 50' ' ' LEU . 4.1 mt -135.48 144.67 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -119.33 168.42 10.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ARG . 10.9 mttp -135.61 -46.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.1 mtm180 -37.73 110.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 41' ' ' SER . 3.4 mt -49.07 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -46.63 47.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.82 -36.18 64.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 31.81 2.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.092 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' HD12 ' A' ' 37' ' ' LEU . 70.9 m -133.73 132.25 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG13 ' HD2' ' A' ' 43' ' ' PRO . 75.3 t -71.8 137.72 82.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.02 -174.95 2.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -63.24 -21.2 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER 161.75 108.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -106.86 48.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.82 85.37 1.33 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.744 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -52.4 -38.68 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -89.85 11.46 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 68.8 -62.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.89 -30.63 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.956 HD23 HG23 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -97.07 149.2 22.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.834 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -100.04 136.55 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.647 ' CG2' HD21 ' A' ' 52' ' ' LEU . 54.9 t -121.02 132.88 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.643 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.9 t -118.56 112.68 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.68 -173.79 28.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 58.76 14.93 24.79 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.84 128.22 35.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.459 ' HE1' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -80.93 116.66 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.0 p -83.55 -167.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.95 -4.01 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.43 1.27 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' ' HE1' ' A' ' 59' ' ' MET . . . 80.18 9.01 87.08 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.33 168.03 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.48 148.11 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.4 m -161.62 145.93 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.07 132.12 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -132.34 148.83 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.956 HG23 HD23 ' A' ' 52' ' ' LEU . 68.0 mt -71.66 124.92 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' CG2' ' A' ' 55' ' ' VAL . 73.3 p -91.28 -44.49 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -152.57 152.96 32.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.654 HG21 ' CA ' ' A' ' 85' ' ' ARG . 16.7 t -131.67 118.37 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -57.29 144.47 35.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -93.82 104.27 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.81 43.35 2.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -136.41 171.28 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.96 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.733 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.3 mm? -41.68 -70.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.774 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.64 68.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.3 t70 176.38 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 76' ' ' SER . 36.2 p -87.56 -38.35 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.704 ' O ' HG21 ' A' ' 16' ' ' VAL . 7.0 m -104.8 -39.38 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -81.55 -41.72 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 68.95 13.19 8.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.781 HD21 HD13 ' A' ' 31' ' ' ILE . 27.1 mt -55.9 164.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.654 ' CA ' HG21 ' A' ' 72' ' ' VAL . 2.5 mtp180 -153.38 162.58 26.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.84 4.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.33 -7.55 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.659 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -87.44 164.16 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 55.7 tt0 -121.38 113.84 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 98' ' ' LEU . 18.9 t -75.86 101.08 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 122' ' ' VAL . 1.1 mm? -66.82 -59.05 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -124.21 166.64 15.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.813 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 10.3 t-105 -145.24 103.88 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.438 ' OD1' ' HA ' ' A' ' 119' ' ' VAL . 7.4 m-20 63.03 16.56 9.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.29 -3.55 33.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -92.8 112.23 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.31 130.07 41.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.706 ' CD2' HD13 ' A' ' 109' ' ' ILE . 18.9 mt -98.24 -20.22 17.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -54.44 106.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.6 -30.41 9.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.95 142.32 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -76.53 171.27 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.41 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 58.1 t80 -55.05 -37.09 66.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -75.51 -48.13 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.27 -53.34 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.664 ' HA ' HD12 ' A' ' 109' ' ' ILE . 53.9 t -55.46 -51.28 58.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -58.1 -47.76 82.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -48.7 -52.74 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.706 HD13 ' CD2' ' A' ' 98' ' ' LEU . 9.1 mt -45.42 -74.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.2 mt -39.61 -30.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.612 HD23 ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -72.59 -58.52 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.33 -15.0 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -121.66 23.92 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.744 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -77.63 -48.32 2.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.01 -18.05 19.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.91 152.79 0.53 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.441 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 -40.29 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.3 pt20 -127.46 169.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.684 HG12 ' CD1' ' A' ' 121' ' ' LEU . 39.2 t -144.11 113.31 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 32' ' ' LEU . 8.6 tt0 -104.26 108.72 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.813 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 1.3 mp -94.87 165.18 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 91' ' ' LEU . 23.2 t -147.47 110.67 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.1 p -109.44 163.31 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.466 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 19.8 m -150.1 111.99 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.21 154.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.6 m-70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 81' ' ' VAL . 21.9 t -103.17 133.95 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.07 126.82 12.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.7 m95 -122.33 109.13 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.961 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.487 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.62 153.22 74.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 162.21 37.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -65.09 176.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.35 -53.46 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.59 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.82 -46.53 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.96 142.23 28.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -106.24 104.71 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 28' ' ' ILE . 4.8 mm -86.09 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -127.06 145.16 15.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.552 ' C ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -119.46 145.97 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.641 HD13 HD21 ' A' ' 84' ' ' LEU . 3.5 mp -139.61 108.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 15' ' ' PRO . 8.4 tp -103.94 116.66 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.554 ' CG ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -99.58 142.29 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.15 119.44 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -7.71 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -49.91 117.96 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.6 mt -48.0 173.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -98.7 29.96 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.94 59.19 5.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -154.21 126.06 7.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.931 HG21 ' HA ' ' A' ' 117' ' ' PRO . 86.9 t -82.21 134.08 49.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.04 171.03 19.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.2 -36.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.38 105.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -55.62 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.22 75.0 0.1 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.974 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.42 -41.91 61.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.65 7.63 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER 68.16 -64.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 171.99 -36.85 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -96.62 162.46 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.886 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.23 124.37 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.653 ' CG2' HD21 ' A' ' 52' ' ' LEU . 74.0 t -105.95 136.49 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -122.78 112.72 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.461 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.59 -175.85 24.96 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.442 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 65.81 8.85 43.16 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 123.62 21.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.699 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.3 tpt -80.89 109.61 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.3 p -71.01 -165.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.41 1.95 56.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.18 5.03 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.45 11.31 85.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.48 169.64 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.699 HD21 ' SD ' ' A' ' 59' ' ' MET . 44.2 mt -113.83 145.44 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -157.55 144.9 18.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.55 126.38 38.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -126.36 145.21 50.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 86' ' ' PRO . 97.4 mt -71.47 128.31 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.1 p -92.98 -54.23 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.437 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -145.13 155.55 43.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 52' ' ' LEU . 63.4 t -129.5 120.1 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 14.8 tptt -60.58 131.99 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.75 104.49 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.59 39.65 2.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 80' ' ' THR . 5.9 t -131.05 167.69 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.0 mm? -40.78 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.814 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -71.44 62.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 73' ' ' LYS . 9.4 t0 177.48 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 76' ' ' SER . 44.4 p -82.3 -34.73 28.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.544 HG23 HD12 ' A' ' 33' ' ' LEU . 6.1 m -112.38 -41.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.61 -36.4 19.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 61.0 15.01 5.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.615 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.814 HD12 ' HB1' ' A' ' 78' ' ' ALA . 11.8 mt -49.6 171.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.25 155.04 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.783 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.05 112.85 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.21 -10.25 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.777 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.5 m-20 -78.22 -178.23 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 91' ' ' LEU . 34.8 tt0 -136.59 113.38 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -77.78 100.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 124' ' ' SER . 0.5 OUTLIER -64.99 -59.25 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -120.28 167.5 12.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.905 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 14.3 t-105 -149.64 105.7 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 119' ' ' VAL . 11.3 m-20 63.21 16.08 9.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.91 45.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.505 ' HB3' HD13 ' A' ' 109' ' ' ILE . 1.6 mmt85 -102.79 112.66 25.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.96 132.12 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.461 HD13 HG13 ' A' ' 106' ' ' VAL . 30.9 mt -100.43 -20.48 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -53.64 107.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.441 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 99.61 -39.1 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.55 145.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.1 p -78.18 178.18 7.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.419 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 74.8 t80 -62.73 -40.87 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.24 -40.11 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.39 -64.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 98' ' ' LEU . 81.6 t -44.54 -47.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -62.35 -61.82 2.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -40.75 -49.38 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' A' ' 96' ' ' ARG . 97.2 mt -48.05 -65.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -50.85 -38.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 114' ' ' LYS . 23.1 tp -63.7 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.03 -11.97 60.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -123.64 24.7 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.974 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 6.8 mttt -72.49 -50.85 7.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.05 -21.69 15.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.88 146.57 0.31 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.931 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 -34.98 3.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -131.41 173.94 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.689 HG12 HD13 ' A' ' 121' ' ' LEU . 60.6 t -150.15 126.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -113.0 110.01 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.905 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 3.5 mp -98.85 162.14 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 91' ' ' LEU . 31.2 t -147.79 107.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 1.3 p -108.07 159.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.563 ' HB2' HD21 ' A' ' 91' ' ' LEU . 3.2 m -126.28 141.51 51.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.04 162.95 22.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.475 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.5 m -100.12 146.9 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.04 123.46 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.555 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 89.3 m95 -107.75 109.56 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -134.54 148.98 69.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.99 160.8 39.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 p -76.68 179.17 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -53.44 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -65.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.33 -32.36 2.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -29.76 16.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -102.24 153.01 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -121.5 114.76 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.437 HD12 ' OG ' ' A' ' 124' ' ' SER . 10.2 mm -92.4 116.72 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -107.3 137.73 14.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' C ' HD12 ' A' ' 31' ' ' ILE . 2.7 mtt180 -118.84 141.61 48.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 1.005 HD13 HD21 ' A' ' 84' ' ' LEU . 2.8 mp -140.43 109.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 15' ' ' PRO . 8.0 tp -104.46 114.98 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -96.86 135.05 39.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -127.99 113.62 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -84.53 -33.93 23.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -41.52 111.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 41' ' ' SER . 4.7 mt -51.27 172.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -45.32 62.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -38.93 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.42 48.13 0.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' HD12 ' A' ' 37' ' ' LEU . 5.7 m -153.52 130.95 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG21 ' HA ' ' A' ' 117' ' ' PRO . 69.5 t -64.28 133.24 95.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.783 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -39.04 -37.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.11 -47.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 71.71 34.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.6 91.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.28 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.19 12.36 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER 69.06 -61.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 165.24 -28.4 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.823 HD13 HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -97.47 169.97 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.771 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.16 119.82 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.682 ' CG2' HD11 ' A' ' 52' ' ' LEU . 86.9 t -102.6 139.38 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.578 HG23 HG21 ' A' ' 70' ' ' THR . 3.2 t -122.7 112.47 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 -174.37 33.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 61.06 13.02 32.67 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 127.27 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.824 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.6 tpt -90.2 104.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.1 p -70.66 -161.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -2.85 51.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.71 8.1 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.3 10.74 79.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -91.58 154.96 18.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.824 HD21 ' SD ' ' A' ' 59' ' ' MET . 37.2 mt -112.23 136.95 51.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.7 t -161.99 147.29 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.602 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.16 131.95 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 56.2 m-85 -126.5 141.33 51.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.823 HG23 HD13 ' A' ' 52' ' ' LEU . 77.2 mt -61.93 130.94 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.578 HG21 HG23 ' A' ' 55' ' ' VAL . 11.9 p -103.49 -47.56 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -149.95 145.74 26.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.582 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -139.02 107.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -53.82 145.22 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 107.07 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.45 21.38 5.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 80' ' ' THR . 80.7 p -116.71 167.4 11.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.9 mm? -42.25 -61.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.75 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -74.63 58.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 8.8 t70 178.66 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.475 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 40.3 p -80.62 -33.73 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.682 ' O ' HG11 ' A' ' 16' ' ' VAL . 7.4 m -115.91 -39.72 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.38 -25.31 54.83 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 80' ' ' THR . 94.6 m-70 40.33 40.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.005 HD21 HD13 ' A' ' 31' ' ' ILE . 5.4 mt -74.15 -171.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -156.46 147.73 16.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.801 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.99 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.23 -18.0 1.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -68.15 -171.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 91' ' ' LEU . 27.5 tt0 -136.68 108.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.726 HG13 HD12 ' A' ' 98' ' ' LEU . 5.8 p -77.84 99.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -63.11 -59.66 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -117.15 168.0 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.788 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 9.8 t-105 -147.67 93.2 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 1.8 t30 77.97 18.56 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.69 -2.99 52.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 113.39 25.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.16 133.45 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.726 HD12 HG13 ' A' ' 90' ' ' VAL . 28.6 mt -97.96 -23.35 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.59 115.78 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.98 -27.83 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.44 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.9 p -85.61 170.8 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.9 -46.07 42.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.55 -54.87 25.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -48.1 -58.31 4.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 109' ' ' ILE . 75.7 t -50.62 -48.05 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.49 -54.94 36.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -43.6 -49.26 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 106' ' ' VAL . 52.7 mt -46.82 -74.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.2 mt -40.63 -33.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -68.24 -57.32 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.97 -16.88 13.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -125.34 24.79 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.474 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -74.47 -54.17 3.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -11.92 21.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.447 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.44 150.3 0.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.98 -33.53 4.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 3.1 pt20 -138.39 165.93 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.595 HG12 ' CD1' ' A' ' 121' ' ' LEU . 37.9 t -147.43 118.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -98.99 102.6 14.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.788 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 7.1 mp -87.76 161.67 17.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 91' ' ' LEU . 37.6 t -148.16 109.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.7 OUTLIER -106.96 161.59 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.48 ' HB2' HD21 ' A' ' 91' ' ' LEU . 11.8 m -145.19 119.8 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.84 159.32 32.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p80 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.28 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -101.85 151.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.74 127.24 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 93.5 m95 -112.89 109.39 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.97 148.74 64.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.481 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 157.75 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 p -72.39 178.85 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.937 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -50.86 23.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -68.72 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 -18.31 4.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.97 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -105.58 163.57 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.67 107.53 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 6.4 mm -81.22 117.27 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.571 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.3 133.37 11.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 2.3 mtt180 -118.74 129.92 55.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.837 HG21 HD11 ' A' ' 84' ' ' LEU . 3.0 mp -125.84 111.57 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -107.05 137.79 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 mm? -120.68 145.4 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -132.77 108.15 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.25 -1.17 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -57.21 125.55 23.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -52.45 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -75.76 -16.39 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -101.57 28.98 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.41 70.61 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 p -172.43 124.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 117' ' ' PRO . 74.8 t -80.76 137.56 50.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.06 170.38 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.4 -43.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -162.88 104.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -72.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.02 63.86 0.41 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.833 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -57.07 -39.5 75.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -91.65 5.04 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? 67.15 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.89 41.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.915 HD23 ' HB1' ' A' ' 78' ' ' ALA . 1.9 pp -157.63 174.18 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.632 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.73 131.73 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.719 HG23 ' CD1' ' A' ' 52' ' ' LEU . 97.6 t -121.42 135.31 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.545 HG23 HG21 ' A' ' 70' ' ' THR . 4.4 t -112.04 112.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -106.39 160.08 14.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 101.92 5.44 50.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 122.29 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.55 117.25 16.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.507 ' CG2' ' SG ' ' A' ' 66' ' ' CYS . 5.2 p -83.09 -172.1 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -88.22 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.24 10.81 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.39 71.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -120.47 171.79 8.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.344 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 102' ' ' THR . 32.3 mt -105.98 153.79 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.597 ' SG ' ' CE2' ' A' ' 68' ' ' PHE . 7.4 p -149.82 166.32 29.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -126.7 126.08 42.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.597 ' CE2' ' SG ' ' A' ' 66' ' ' CYS . 51.3 m-85 -123.39 148.9 45.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.9 HG22 ' HA ' ' A' ' 86' ' ' PRO . 96.0 mt -72.53 135.08 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.545 HG21 HG23 ' A' ' 55' ' ' VAL . 29.0 p -107.78 -43.07 4.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.73 149.07 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.562 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -142.88 113.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -53.3 133.75 39.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 105.57 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.78 21.76 4.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.506 ' N ' HG23 ' A' ' 80' ' ' THR . 75.0 m -116.99 171.91 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.9 mm? -44.32 -61.91 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.915 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -74.98 60.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 177.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.601 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.8 p -79.7 -37.31 35.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.584 ' CG2' HD12 ' A' ' 33' ' ' LEU . 5.6 m -109.99 -40.4 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.91 -38.15 20.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 80' ' ' THR . 73.1 m-70 56.16 41.59 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.58 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 31' ' ' ILE . 1.3 mt -76.51 -177.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HA ' HG11 ' A' ' 72' ' ' VAL . 6.8 mtt180 -153.14 151.32 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.9 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.96 98.68 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.98 -20.59 0.87 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.42 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -64.59 178.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 51.4 tt0 -130.18 101.5 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 98' ' ' LEU . 2.6 p -75.32 101.44 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 124' ' ' SER . 49.4 mt -62.44 -59.38 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.555 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 11.1 t-105 -139.91 93.26 2.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 120' ' ' GLU . 3.7 t-20 75.9 21.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.2 -12.92 44.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -87.29 112.61 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 132.81 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.523 HD12 HG13 ' A' ' 90' ' ' VAL . 28.3 mt -95.54 -24.0 16.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.0 116.2 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 98.33 -30.48 9.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.26 142.87 58.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.7 ' HA ' HD13 ' A' ' 65' ' ' LEU . 3.0 p -81.89 166.95 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -42.04 -51.05 4.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.33 -58.07 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.91 -46.6 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' A' ' 56' ' ' GLY . 24.5 t -59.77 -43.43 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -69.44 -58.12 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.0 m120 -40.87 -33.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 93' ' ' TRP . 61.6 mt -64.89 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -55.1 -38.37 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.6 tm? -70.19 -35.32 73.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -71.74 -23.58 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.5 p -96.71 24.66 5.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.833 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.91 -51.35 38.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.03 -25.93 11.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.8 OUTLIER -38.81 139.89 0.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.758 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 -29.33 8.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.527 ' HB2' HD21 ' A' ' 32' ' ' LEU . 3.5 pt20 -141.07 177.17 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.437 HG11 ' CZ2' ' A' ' 93' ' ' TRP . 13.8 t -150.72 104.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.545 ' HB2' HD23 ' A' ' 32' ' ' LEU . 12.1 tt0 -94.07 106.46 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.45 163.64 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.8 t -147.55 100.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.4 p -105.17 163.45 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.729 ' HB3' HD11 ' A' ' 91' ' ' LEU . 8.4 t -148.21 114.23 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.11 27.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 19.4 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.98 -29.37 8.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.53 145.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -147.9 122.24 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 96.1 m95 -108.09 109.41 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.9 mp0 -131.86 147.36 65.64 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 158.41 42.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -72.14 -177.42 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -53.2 -49.35 66.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.19 -57.09 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -31.34 4.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -54.0 -26.37 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -106.42 149.12 27.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -116.65 116.04 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' GLN . 9.9 mm -96.21 118.11 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -112.07 124.2 6.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.54 108.94 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.796 HD13 HD21 ' A' ' 84' ' ' LEU . 4.2 mp -101.15 151.61 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.7 tm? -141.08 138.34 33.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.877 HD13 HD22 ' A' ' 50' ' ' LEU . 3.3 mt -132.55 145.14 50.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -116.82 166.97 11.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.4 mtpm? -134.35 -46.64 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 35' ' ' LYS . 31.0 mtt180 -34.47 114.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.28 -171.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -46.69 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -43.49 67.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.21 0.5 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -158.35 141.75 15.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 117' ' ' PRO . 97.9 t -82.47 132.67 51.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.21 2.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.49 -36.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.8 93.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.96 51.33 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.11 75.22 0.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -48.77 -42.08 34.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -59.32 -14.11 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD22 HD13 ' A' ' 33' ' ' LEU . 1.3 mp 69.37 -61.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 152.89 47.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -157.08 162.06 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.81 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -123.74 146.84 48.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.705 ' CG2' HD11 ' A' ' 52' ' ' LEU . 42.8 t -136.88 143.69 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -123.75 112.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.42 -175.44 29.96 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 16.71 61.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -74.83 118.51 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.741 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.1 tpt -81.36 112.64 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.2 p -79.06 -160.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.3 -0.13 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.32 11.49 20.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.92 14.19 70.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -96.89 160.97 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.741 HD21 ' SD ' ' A' ' 59' ' ' MET . 40.8 mt -115.12 136.46 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -152.95 147.8 26.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 108.352 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.512 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -90.1 150.1 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 80.5 m-85 -143.43 146.23 33.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 86' ' ' PRO . 91.3 mt -72.41 131.95 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.455 HG21 ' CG2' ' A' ' 55' ' ' VAL . 48.1 p -105.05 -42.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -149.87 152.86 35.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 59.3 t -130.3 132.98 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -64.96 126.2 27.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 106.84 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.63 49.43 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -141.05 -177.01 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 109.985 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.5 mm? -51.84 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.674 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.67 67.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.2 t70 177.16 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 76' ' ' SER . 70.8 p -83.6 -41.54 17.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.613 HG23 ' CD2' ' A' ' 33' ' ' LEU . 11.8 m -102.53 -37.24 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.1 -42.13 12.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 67.64 14.38 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.537 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.796 HD21 HD13 ' A' ' 31' ' ' ILE . 4.4 mt -58.76 171.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.28 156.4 31.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.758 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.59 -33.43 0.63 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.512 ' HB3' HG11 ' A' ' 123' ' ' VAL . 1.1 m-20 -60.37 -179.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 35.8 tt0 -136.8 101.36 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.487 HG13 HD12 ' A' ' 98' ' ' LEU . 7.7 p -71.71 121.47 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.27 -55.6 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 27.4 mt-10 -114.15 156.93 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.654 ' CE3' ' CD2' ' A' ' 121' ' ' LEU . 24.3 t-105 -137.77 97.12 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.78 24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.38 -13.58 56.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 2.8 mmt-85 -83.77 117.81 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 133.39 45.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.489 ' CD2' HD13 ' A' ' 109' ' ' ILE . 27.9 mt -99.39 -22.28 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -55.41 120.11 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.16 -31.27 6.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.78 148.37 25.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -87.31 172.06 10.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.43 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -48.65 -44.02 37.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' TYR . 2.1 mt-10 -65.96 -62.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.58 -56.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' A' ' 109' ' ' ILE . 70.5 t -50.05 -45.95 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLU . 1.6 t80 -64.04 -57.01 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -42.7 -48.38 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 106' ' ' VAL . 55.9 mt -48.34 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.52 HG12 ' CE2' ' A' ' 93' ' ' TRP . 5.5 mt -41.83 -28.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' A' ' 111' ' ' LEU . 0.8 OUTLIER -71.57 -63.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.01 -25.51 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -91.91 25.61 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.054 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 1.9 mtpt -71.31 -49.92 11.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -21.04 16.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -41.4 135.53 1.91 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.02 -28.53 9.05 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 6.9 pt20 -132.54 173.08 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.737 HG21 HD21 ' A' ' 50' ' ' LEU . 3.1 t -145.25 103.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -96.42 121.17 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.654 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 9.5 mt -107.14 164.96 11.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -147.82 105.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -107.39 146.11 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -130.61 106.01 8.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -109.24 150.15 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.557 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.98 -39.71 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.655 HG13 HG13 ' A' ' 31' ' ' ILE . 21.1 t -106.5 133.41 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.92 123.0 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -111.11 109.32 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -136.3 151.06 72.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.579 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.93 158.8 42.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -173.93 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.59 51.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.45 -64.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.2 -41.21 1.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -50.91 -30.6 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -97.69 149.17 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.579 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -115.74 123.57 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.5 mm -104.7 105.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.01 126.2 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.71 112.76 25.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.722 HD13 HD21 ' A' ' 84' ' ' LEU . 3.5 mp -110.35 146.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -141.82 135.53 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD13 HD12 ' A' ' 50' ' ' LEU . 2.8 mt -124.59 142.34 51.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -131.16 141.26 50.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -33.86 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.5 112.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 43' ' ' PRO . 5.9 mt -64.92 -176.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -34.26 49.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.94 -37.51 61.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 36' ' ' ARG . . . 88.58 50.42 3.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' VAL . 3.9 m -130.67 7.09 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' A' ' 36' ' ' ARG . 3.5 t 61.12 132.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.96 -169.14 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' PRO . 19.3 mtm-85 -38.41 -40.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.89 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.25 44.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.9 98.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.841 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.38 -38.74 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.27 18.88 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.733 HD12 HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER 69.28 -60.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 173.35 -32.48 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.577 1.173 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.048 HD13 HG23 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -96.54 171.88 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.686 ' N ' HD12 ' A' ' 52' ' ' LEU . 1.3 tttt -119.19 126.25 51.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 52' ' ' LEU . 58.6 t -109.28 146.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.9 t -131.2 112.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.45 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.43 -171.44 32.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 11.63 43.05 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.54 120.46 17.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -85.65 109.99 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -75.37 -166.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.13 -11.68 40.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.38 -6.67 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 7.49 73.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -96.18 158.32 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 59' ' ' MET . 27.9 mt -110.74 143.12 41.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.72 152.47 17.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -93.58 134.31 36.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 81.8 m-85 -125.04 147.35 49.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.048 HG23 HD13 ' A' ' 52' ' ' LEU . 59.3 mt -69.81 132.61 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.48 HG21 ' CG2' ' A' ' 55' ' ' VAL . 30.8 p -103.78 -48.32 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.81 153.46 38.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.063 HG12 ' OD2' ' A' ' 79' ' ' ASP . 13.2 t -130.44 107.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.4 tptt -54.93 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.56 106.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.56 17.21 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -116.33 -176.47 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 33' ' ' LEU . 6.0 mt -54.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -70.44 57.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 1.063 ' OD2' HG12 ' A' ' 72' ' ' VAL . 2.5 m-20 -162.3 -64.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 p -84.87 -23.07 29.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 t -106.42 -39.35 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.74 -47.78 5.78 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.2 m80 76.86 14.4 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.722 HD21 HD13 ' A' ' 31' ' ' ILE . 1.6 mt -64.76 176.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 156.39 32.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.662 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.97 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.12 -14.6 2.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.599 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -78.35 164.4 24.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 41.7 tt0 -115.34 112.47 22.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HE3' ' A' ' 93' ' ' TRP . 20.9 t -77.68 98.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -63.75 -59.26 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.58 169.45 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.623 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 7.8 t-105 -150.73 92.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.6 t-20 78.75 15.89 1.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.18 -7.49 47.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.48 117.58 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.61 127.35 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.764 ' CD2' HD13 ' A' ' 109' ' ' ILE . 17.7 mt -95.36 -15.91 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.71 115.91 5.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.7 -19.18 52.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -66.48 142.58 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 p -81.61 168.81 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -44.55 -47.84 10.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.86 -58.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 21.6 mt-10 -38.79 -52.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.686 ' HA ' HD12 ' A' ' 109' ' ' ILE . 81.4 t -57.7 -51.93 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.1 t80 -58.72 -47.16 85.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 112' ' ' GLU . 28.0 m-80 -48.94 -41.51 34.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.764 HD13 ' CD2' ' A' ' 98' ' ' LEU . 15.1 mt -58.97 -71.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -47.44 -41.47 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.623 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.5 tm? -65.29 -33.97 77.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.9 mm-40 -77.67 -24.55 49.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -97.61 23.64 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.841 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -71.53 -54.21 6.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.05 -17.16 19.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 142.86 20.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.2 4.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.777 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' C ' ' CG2' ' A' ' 119' ' ' VAL . 3.8 pt20 -137.3 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.648 HG12 ' CD1' ' A' ' 121' ' ' LEU . 8.1 t -151.5 117.11 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -98.97 103.71 15.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.648 ' CD1' HG12 ' A' ' 119' ' ' VAL . 2.8 mp -88.06 162.19 16.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' LEU . 42.9 t -148.33 112.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -109.54 163.7 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 27.9 t -150.46 109.18 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 163.14 14.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.002 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -20.42 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 17' ' ' THR . 23.7 t -110.97 140.26 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -153.34 126.38 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 94.8 m95 -120.74 108.89 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 52.7 mm-40 -136.27 151.12 72.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 158.11 42.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -75.95 -177.31 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -49.46 -52.81 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.47 -66.99 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.09 -21.2 4.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.5 -6.94 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -122.8 147.42 46.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -113.37 135.92 53.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -112.91 100.84 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -93.73 126.42 8.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.83 117.26 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.788 HD13 HD21 ' A' ' 84' ' ' LEU . 4.3 mp -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.0 tm? -140.34 142.68 35.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.847 HD13 HD12 ' A' ' 50' ' ' LEU . 5.0 mt -136.95 145.04 43.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -140.84 141.59 34.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -111.07 -22.77 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' LYS . 75.4 mtm180 -38.34 104.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 43' ' ' PRO . 6.4 mt -57.84 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.2 74.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.66 50.39 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 4.8 m -133.54 8.91 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG21 ' HA ' ' A' ' 117' ' ' PRO . 3.9 t 61.42 134.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.5 Cg_endo -75.0 -177.34 3.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.59 -46.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.71 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t 65.43 74.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.76 95.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.674 ' HB1' ' HD3' ' A' ' 114' ' ' LYS . . . -56.4 -38.41 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -86.74 16.72 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.953 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.847 HD12 HD13 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 69.32 -60.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 169.67 -30.47 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.951 HD13 HG23 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -96.65 163.14 13.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.855 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.52 131.44 55.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.599 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 59.4 t -115.19 145.94 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -130.03 112.88 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.59 -177.88 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.21 10.64 62.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.3 ttpt -69.6 118.89 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.616 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.1 tpt -81.47 110.6 17.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 80.8 p -77.35 -172.73 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.37 -20.03 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.23 12.66 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.88 21.67 71.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 155.77 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.616 HD21 ' SD ' ' A' ' 59' ' ' MET . 32.1 mt -114.3 135.83 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -159.83 152.73 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -91.66 132.01 36.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 68.2 m-85 -126.46 138.31 53.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.951 HG23 HD13 ' A' ' 52' ' ' LEU . 68.9 mt -62.75 130.66 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.8 p -104.44 -40.94 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.04 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 14.8 t -141.45 113.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -56.54 113.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -68.97 102.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.48 42.66 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 80' ' ' THR . 0.5 OUTLIER -140.24 171.42 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.0 mt -40.75 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.634 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.54 69.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.48 ' OD2' HG12 ' A' ' 72' ' ' VAL . 3.7 t0 176.21 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 76' ' ' SER . 43.2 p -82.8 -39.58 21.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 77' ' ' LEU . 15.4 m -103.32 -37.86 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -78.48 -44.24 11.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.0 m80 68.63 18.06 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 109.641 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.788 HD21 HD13 ' A' ' 31' ' ' ILE . 4.8 mt -62.49 171.44 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.35 153.94 31.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.97 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.65 -10.84 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -84.01 176.41 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.3 tt0 -128.59 113.9 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.524 HG13 HD12 ' A' ' 98' ' ' LEU . 2.6 p -81.23 98.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -61.43 -60.6 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.895 ' OE2' HD12 ' A' ' 97' ' ' LEU . 2.6 mp0 -115.6 171.79 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.451 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 9.3 t-105 -150.29 92.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 107.98 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 73.93 18.36 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.87 -7.47 41.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.435 ' CD ' HG12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -88.09 121.02 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.895 HD12 ' OE2' ' A' ' 92' ' ' GLU . 2.6 tp -74.82 126.1 30.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.642 ' CD2' HD13 ' A' ' 109' ' ' ILE . 36.2 mt -94.16 -17.36 22.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -60.77 119.34 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.01 7.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -58.61 143.31 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 p -81.22 171.13 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -47.76 -44.61 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.3 -59.44 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.413 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 15.2 mt-10 -39.89 -56.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.735 ' HA ' HD12 ' A' ' 109' ' ' ILE . 56.6 t -52.57 -50.3 40.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.38 -54.23 49.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -41.28 -50.75 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 106' ' ' VAL . 10.3 mt -47.98 -70.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.428 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.1 mt -40.48 -31.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.57 HD23 ' HG3' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -70.49 -62.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.79 -21.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -93.87 24.53 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.674 ' HD3' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -74.4 -49.77 5.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.06 -32.11 5.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 3.8 mt-10 -37.85 136.27 0.77 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.437 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.03 -33.02 4.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 2.6 pt20 -132.91 172.32 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.4 t -146.67 113.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -99.66 108.54 20.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.451 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 6.9 mt -91.53 162.46 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 91' ' ' LEU . 24.4 t -148.49 110.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -109.4 157.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 41.2 t -140.44 107.98 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 159.65 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.02 -35.99 2.79 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 81' ' ' VAL . 11.7 t -99.74 139.07 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -153.16 120.49 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.9 m95 -108.2 108.22 19.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -131.68 150.73 77.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.02 157.49 42.65 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -68.16 -172.07 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -67.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.42 -27.73 3.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.23 -32.79 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -100.86 159.28 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -124.49 112.98 17.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' GLN . 26.1 mm -91.17 107.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -102.29 135.36 12.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -118.13 128.91 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.923 HD13 HD21 ' A' ' 84' ' ' LEU . 3.6 mp -123.49 109.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 15' ' ' PRO . 5.5 tp -107.45 117.46 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.68 ' CB ' HD12 ' A' ' 50' ' ' LEU . 1.5 mm? -99.99 141.0 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -132.0 111.08 11.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.73 20.06 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -75.25 124.2 26.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 41' ' ' SER . 60.8 mt -59.05 176.29 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -51.95 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -21.78 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.71 20.84 20.67 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.497 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.4 m -120.23 123.13 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.973 HG21 ' HA ' ' A' ' 117' ' ' PRO . 57.4 t -66.36 141.54 97.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.07 177.76 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -34.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 p30 169.97 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 t -85.18 0.67 51.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.8 77.52 0.25 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -52.98 -33.39 51.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.57 8.24 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.68 HD12 ' CB ' ' A' ' 33' ' ' LEU . 2.2 mm? 67.38 -69.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.07 41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB1' ' A' ' 78' ' ' ALA . 1.3 pp -157.51 170.07 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.647 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -123.52 134.76 53.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.726 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 92.2 t -124.71 141.46 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -119.56 112.67 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.38 33.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 64.2 10.79 43.04 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -69.4 118.96 12.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.601 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -84.38 109.51 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.4 p -76.16 -162.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.98 -0.91 57.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.91 8.52 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.27 11.25 75.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -94.5 155.57 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD21 ' SD ' ' A' ' 59' ' ' MET . 28.0 mt -113.01 141.14 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 3.0 t -153.97 171.22 19.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.726 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -115.44 126.49 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 32.9 m-85 -123.86 141.08 52.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.9 131.86 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.476 HG21 ' CG2' ' A' ' 55' ' ' VAL . 17.8 p -108.24 -21.59 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -163.88 143.69 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -143.16 107.12 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 9.7 tptt -53.63 92.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.19 108.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.83 11.61 2.87 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -113.57 -167.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 81' ' ' VAL . 9.2 mt -61.45 -67.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.812 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -71.32 58.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.52 ' OD2' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -171.99 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 76' ' ' SER . 68.3 p -79.86 -40.3 28.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.991 ' O ' HG21 ' A' ' 16' ' ' VAL . 10.7 m -101.51 -36.98 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -77.48 -42.19 18.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 64.73 38.5 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.923 HD21 HD13 ' A' ' 31' ' ' ILE . 2.6 mt -84.88 -179.93 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.647 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.2 mtp180 -159.4 157.41 26.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.549 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 85.96 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.06 -34.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.138 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.37 -179.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 40.6 tt0 -137.11 101.25 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 67' ' ' ALA . 2.9 p -72.16 115.25 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 124' ' ' SER . 51.2 mt -81.35 -57.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -115.21 162.73 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.73 ' CZ2' HG11 ' A' ' 119' ' ' VAL . 11.2 t-105 -141.67 95.27 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.11 16.74 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.87 -13.31 32.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -84.68 114.29 21.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 132.64 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.452 HD12 HG13 ' A' ' 90' ' ' VAL . 25.5 mt -97.21 -23.16 16.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -53.87 116.34 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.83 -33.07 5.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.78 142.84 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.7 p -81.31 172.51 13.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -52.49 -42.37 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -50.57 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -49.43 -61.09 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 109' ' ' ILE . 72.9 t -45.59 -49.69 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.69 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -43.42 -45.37 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 106' ' ' VAL . 73.0 mt -51.71 -75.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 93' ' ' TRP . 6.3 mt -41.57 -28.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.86 HD23 ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -69.51 -62.03 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.42 -20.03 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.7 p -104.81 26.18 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.86 ' HG3' HD23 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -70.47 -49.58 15.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -23.96 13.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.23 139.03 0.53 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.973 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.06 -29.32 8.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.432 ' C ' HG23 ' A' ' 119' ' ' VAL . 2.4 pt20 -138.39 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.73 HG11 ' CZ2' ' A' ' 93' ' ' TRP . 42.0 t -152.89 114.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -96.01 111.25 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.578 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 6.4 mt -95.36 163.36 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.2 t -148.06 104.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.02 144.11 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.473 ' HB2' HD11 ' A' ' 91' ' ' LEU . 28.9 t -125.06 111.16 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.66 158.54 24.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.4 m-70 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.558 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.3 m -95.03 153.25 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -152.06 123.42 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.7 m95 -109.74 109.06 19.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -136.33 150.47 70.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.94 156.93 43.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -70.43 -176.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -51.48 54.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -67.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.97 -27.93 3.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -19.11 10.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 0.733 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -114.41 161.7 17.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -127.01 113.77 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 mm -92.22 114.89 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -104.54 138.05 13.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -125.33 126.34 44.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.699 HD13 HD21 ' A' ' 84' ' ' LEU . 3.4 mp -121.71 117.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.3 tm? -111.6 132.37 54.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 mm? -117.0 144.62 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -122.14 134.45 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -105.97 -44.88 4.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -38.48 115.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 43' ' ' PRO . 4.3 mt -55.68 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -41.57 90.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -44.36 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 50.53 0.28 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 m -155.53 139.35 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' A' ' 117' ' ' PRO . 76.5 t -77.41 128.75 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.93 -176.95 3.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.62 -41.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 48' ' ' ALA . 8.2 t70 178.38 93.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t -78.27 55.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 72.79 0.87 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.788 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.08 -38.98 54.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -88.44 10.78 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.4 mm? 69.78 -59.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 158.21 -22.89 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.918 HD13 HG23 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -96.2 167.01 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.731 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -118.51 119.62 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.76 HG22 HD11 ' A' ' 52' ' ' LEU . 45.1 t -103.34 146.55 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -134.96 112.89 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -103.03 -172.52 26.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.14 8.87 52.35 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -69.22 118.71 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.64 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.2 tpt -81.56 108.15 14.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.5 p -74.25 -174.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.98 -1.43 43.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.56 10.89 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 14.77 71.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 153.0 17.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.64 HD21 ' SD ' ' A' ' 59' ' ' MET . 24.2 mt -111.76 142.18 44.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.1 t -161.45 164.38 29.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -108.87 133.44 52.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 42.4 m-85 -129.85 143.64 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.918 HG23 HD13 ' A' ' 52' ' ' LEU . 57.0 mt -63.69 127.93 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 p -100.28 -47.23 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 145.63 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -138.33 111.13 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -54.48 150.03 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.0 102.96 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.25 32.13 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.524 ' N ' HG23 ' A' ' 80' ' ' THR . 58.4 p -125.63 163.21 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.6 mm? -40.59 -58.27 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.774 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -75.27 57.84 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.461 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 3.6 t70 177.96 -54.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 76' ' ' SER . 55.9 p -71.3 -35.24 71.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.558 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.9 m -115.84 -38.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.418 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -80.62 -32.21 34.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 94.7 m-70 48.29 39.24 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 52' ' ' LEU . 5.9 mt -70.52 -172.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' HG11 ' A' ' 72' ' ' VAL . 33.7 mmt-85 -157.98 149.57 16.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.651 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 94.53 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.62 -20.69 0.71 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.664 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.3 m-20 -60.43 -177.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 27.2 tt0 -137.01 102.02 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 98' ' ' LEU . 2.7 p -72.83 101.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 124' ' ' SER . 85.6 mt -66.87 -55.92 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -120.66 165.28 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.597 ' CD1' HG22 ' A' ' 109' ' ' ILE . 7.2 t-105 -144.14 103.99 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.638 ' OD1' HG13 ' A' ' 119' ' ' VAL . 9.0 m-20 62.43 15.77 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.98 -5.65 34.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -92.27 113.3 25.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.91 131.01 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 90' ' ' VAL . 23.5 mt -96.9 -21.97 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -57.89 114.01 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.83 -26.46 20.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.21 143.81 54.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -79.98 170.54 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -50.27 -43.51 53.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.38 -54.1 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -44.98 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.475 HG21 ' HA3' ' A' ' 56' ' ' GLY . 74.6 t -52.49 -45.89 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.58 -54.97 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -40.41 -47.66 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.597 HG22 ' CD1' ' A' ' 93' ' ' TRP . 5.2 mt -50.35 -75.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.578 HG12 ' CH2' ' A' ' 93' ' ' TRP . 3.2 mt -41.25 -28.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.799 HD23 ' HD2' ' A' ' 114' ' ' LYS . 0.4 OUTLIER -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' ILE . 2.7 mt-10 -66.12 -8.24 22.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.44 1.48 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.799 ' HD2' HD23 ' A' ' 111' ' ' LEU . 7.3 mttt -59.09 -49.66 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -33.49 4.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -40.27 135.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.03 -30.99 6.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.4 pt20 -131.11 172.66 11.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.638 HG13 ' OD1' ' A' ' 94' ' ' ASN . 13.2 t -148.64 107.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.7 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.2 mt -96.12 163.44 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 91' ' ' LEU . 21.2 t -147.66 102.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 88' ' ' ASP . 1.1 p -111.66 156.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.615 ' HB2' HD11 ' A' ' 91' ' ' LEU . 2.6 t -113.17 159.71 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.55 156.52 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.98 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -37.59 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 17' ' ' THR . 1.4 m -103.74 149.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -152.0 124.29 8.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.5 m95 -109.71 108.53 18.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -136.73 149.6 67.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 157.67 43.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.5 p -72.63 -177.06 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -50.11 -52.72 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -73.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.34 -32.53 2.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.8 -21.74 43.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -106.21 158.22 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -124.02 128.33 49.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.2 mm -106.61 112.33 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -105.16 134.17 11.92 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.52 130.0 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 84' ' ' LEU . 3.0 mp -126.72 114.61 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 33' ' ' LEU . 3.1 tm? -111.42 138.19 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.6 mm? -120.42 145.63 47.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -132.32 131.78 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -29.82 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -39.08 107.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 43' ' ' PRO . 6.1 mt -61.76 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.05 -39.63 75.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -35.74 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.66 52.51 3.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -133.76 8.29 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.3 t 61.52 135.0 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.661 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.05 170.06 21.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -48.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.39 79.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -50.87 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.75 89.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.84 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -53.12 -51.37 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.05 8.72 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER 69.75 -58.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 155.24 -21.23 0.56 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.797 HD21 HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -100.89 153.97 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.772 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -107.49 151.38 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.839 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 73.1 t -141.79 138.41 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.686 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.5 t -118.66 112.39 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.635 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.48 -175.56 32.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.81 18.18 59.14 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -77.75 117.87 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.634 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.3 tpt -80.77 110.11 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 64' ' ' ARG . 69.7 p -78.48 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.437 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.51 -31.18 37.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.56 21.48 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.43 ' O ' ' CE ' ' A' ' 59' ' ' MET . . . 59.73 18.93 47.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 60' ' ' THR . 3.2 mmt180 -90.45 152.78 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 0.77 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD21 ' SD ' ' A' ' 59' ' ' MET . 26.9 mt -112.39 136.65 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -155.68 154.3 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.839 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -99.98 122.13 42.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 50.3 m-85 -117.66 143.86 45.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.836 HG22 ' HA ' ' A' ' 86' ' ' PRO . 88.7 mt -64.4 131.44 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.686 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.3 p -104.52 -40.0 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.49 142.34 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.542 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p -136.3 113.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.08 142.22 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.38 105.69 17.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.51 23.29 4.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 80' ' ' THR . 0.4 OUTLIER -116.01 166.69 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.3 mt -43.37 -64.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.849 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -73.17 58.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.431 ' OD1' HG22 ' A' ' 72' ' ' VAL . 9.7 t70 -179.46 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 36.4 p -84.95 -40.22 17.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 33' ' ' LEU . 5.4 m -104.97 -39.69 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.11 -36.37 27.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 59.33 42.67 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.613 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 31' ' ' ILE . 7.0 mt -80.37 176.54 9.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.1 mtt85 -151.59 154.03 32.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.836 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.98 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.84 -18.24 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.661 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.8 m-20 -68.11 175.68 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 40.3 tt0 -129.36 103.12 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.746 HG13 HD12 ' A' ' 98' ' ' LEU . 4.9 p -73.3 100.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.844 HD11 ' CB ' ' A' ' 124' ' ' SER . 88.4 mt -64.61 -56.24 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.68 168.13 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 16.2 t-105 -145.93 93.49 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.2 t-20 77.0 20.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.0 52.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -87.34 112.48 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.94 131.4 46.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.746 HD12 HG13 ' A' ' 90' ' ' VAL . 23.7 mt -95.78 -22.66 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -54.88 116.08 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.52 -29.83 7.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.96 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -76.4 170.8 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -50.59 -42.77 56.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.57 -51.72 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.62 -49.03 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.635 HG21 ' HA3' ' A' ' 56' ' ' GLY . 70.1 t -58.41 -46.66 89.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -64.87 -55.07 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 112' ' ' GLU . 60.5 m-20 -43.12 -40.62 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 106' ' ' VAL . 41.8 mt -57.19 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.543 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -46.23 -45.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.572 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.7 tm? -60.67 -35.77 77.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.5 mm-40 -77.02 -35.1 57.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -92.4 25.17 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.84 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 5.9 mtpt -71.24 -51.44 10.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.1 Cg_endo -75.01 -21.21 16.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 1.1 mm-40 -42.38 142.31 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -31.54 6.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 7.0 pt20 -139.93 158.9 43.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.472 HG11 ' CE2' ' A' ' 93' ' ' TRP . 21.9 t -138.23 112.54 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.447 ' HB2' HD23 ' A' ' 32' ' ' LEU . 8.1 tt0 -96.79 106.05 18.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.64 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 5.1 mt -86.6 161.51 18.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 91' ' ' LEU . 26.3 t -147.66 103.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 88' ' ' ASP . 1.5 p -108.78 158.71 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.844 ' CB ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -124.2 130.54 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.1 161.0 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.613 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -34.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.2 m -107.61 143.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.83 126.09 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.592 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 89.0 m95 -114.11 109.37 18.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.9 mp0 -136.48 150.59 70.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 157.6 42.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 174.27 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -55.25 4.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.2 -56.08 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.1 -36.55 3.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.36 -34.65 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -95.86 151.02 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.66 115.02 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' GLN . 11.9 mm -90.14 117.7 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.4 139.94 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' C ' HD12 ' A' ' 31' ' ' ILE . 2.0 ttm-85 -121.38 139.91 52.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.901 HG21 HD11 ' A' ' 84' ' ' LEU . 2.9 mp -137.64 111.26 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -114.07 137.19 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.841 HD23 HD22 ' A' ' 50' ' ' LEU . 2.1 mm? -124.12 145.97 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -121.3 145.0 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.804 ' HB2' HG22 ' A' ' 42' ' ' VAL . 63.3 mttt -112.04 -48.66 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 56.3 mtt180 -35.78 114.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 43' ' ' PRO . 2.8 mt -63.91 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -37.5 77.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.09 -43.63 98.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.72 54.61 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -163.85 121.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.804 HG22 ' HB2' ' A' ' 35' ' ' LYS . 90.9 t -54.61 132.55 64.28 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -36.69 -45.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' A' ' 48' ' ' ALA . 6.9 t0 176.75 83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.75 67.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 53.68 69.55 1.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.794 ' HB1' ' HG3' ' A' ' 114' ' ' LYS . . . -46.74 -53.66 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.6 -16.94 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.841 HD22 HD23 ' A' ' 33' ' ' LEU . 1.7 mp 72.72 2.93 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.36 38.87 16.61 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -152.99 154.37 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.921 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.58 150.94 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 52' ' ' LEU . 99.1 t -141.39 138.03 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.66 112.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.467 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.19 -168.97 28.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 56.36 16.32 14.58 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.21 126.53 30.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.28 116.22 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.2 p -86.02 -173.54 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -82.51 -10.4 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -101.67 8.91 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 21.19 76.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -108.43 167.79 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD22 ' C ' ' A' ' 57' ' ' GLY . 28.2 mt -107.64 138.89 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.3 m -154.32 143.93 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.54 155.59 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -152.74 143.21 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.809 HG22 ' HA ' ' A' ' 86' ' ' PRO . 98.1 mt -70.45 124.43 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 p -95.71 -47.93 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 148.85 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -144.21 118.07 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -53.99 131.86 41.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -84.22 105.04 14.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.31 20.55 5.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 80' ' ' THR . 1.5 m -115.08 166.7 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.537 HD23 HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -39.14 -66.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.828 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.1 59.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.412 ' OD1' HG22 ' A' ' 72' ' ' VAL . 6.7 t70 177.92 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 22.3 p -85.7 -50.72 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 77' ' ' LEU . 8.8 m -95.98 -36.5 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.32 -43.62 9.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 80' ' ' THR . 99.0 m-70 66.46 45.64 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.901 HD11 HG21 ' A' ' 31' ' ' ILE . 3.6 mt -85.2 174.96 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -153.13 150.99 25.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.809 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.96 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.06 -24.44 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.49 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 1.2 m-20 -64.81 -176.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 40.4 tt0 -136.88 105.96 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.41 HG11 ' HE3' ' A' ' 93' ' ' TRP . 37.4 t -71.19 107.13 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 122' ' ' VAL . 66.5 mt -71.77 -59.27 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.12 165.5 13.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.867 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 13.6 t-105 -147.81 92.32 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' GLU . 2.1 t-20 71.72 35.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.49 -7.45 81.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -92.94 114.31 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.01 131.59 43.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.609 ' CD2' HD13 ' A' ' 109' ' ' ILE . 15.3 mt -95.55 -22.84 17.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.47 114.18 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.6 -28.27 12.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.76 143.96 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.3 p -78.61 171.42 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -55.06 -41.04 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.49 -43.19 73.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.5 -59.21 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 109' ' ' ILE . 39.8 t -45.81 -40.93 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.2 t80 -72.22 -53.02 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 112' ' ' GLU . 73.7 m-20 -45.39 -32.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.609 HD13 ' CD2' ' A' ' 98' ' ' LEU . 50.9 mt -67.73 -68.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.6 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.0 mt -49.18 -33.86 6.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.421 ' O ' HD22 ' A' ' 111' ' ' LEU . 2.4 tm? -77.18 -35.92 55.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.4 mm-40 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 m -104.26 25.04 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.794 ' HG3' ' HB1' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -74.45 -48.68 5.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -25.4 11.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.59 150.62 0.52 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.592 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.04 -38.28 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.553 ' HB2' HD21 ' A' ' 32' ' ' LEU . 4.7 pt20 -133.73 159.65 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.779 ' HB ' HD21 ' A' ' 50' ' ' LEU . 58.1 t -130.54 111.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.585 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -94.96 127.48 41.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.867 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 3.1 mp -118.18 162.04 18.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.7 t -147.62 119.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -116.65 144.71 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -126.06 111.98 15.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -114.95 159.76 20.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.035 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.49 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 -31.12 6.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m -108.27 146.54 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.58 125.46 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.431 ' CH2' HG21 ' A' ' 123' ' ' VAL . 95.1 m95 -112.48 109.42 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -135.45 150.22 71.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.05 157.5 42.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -70.7 -179.64 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -44.04 66.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -68.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.19 -21.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -23.02 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -111.68 152.2 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -116.28 113.07 22.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 mm -95.11 119.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.26 131.34 9.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 6.3 mtp180 -118.26 112.78 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.747 . . . . 0.0 110.345 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.864 HD13 HD21 ' A' ' 84' ' ' LEU . 1.7 mp -103.95 156.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.0 tm? -141.57 142.69 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.605 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.5 mt -133.63 141.41 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -122.18 142.89 49.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HB2' HG21 ' A' ' 42' ' ' VAL . 2.5 mtpm? -111.69 -27.66 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' HA ' ' N ' ' A' ' 42' ' ' VAL . 62.8 mtm180 -48.75 115.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 41' ' ' SER . 1.7 mt -52.43 -174.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.86 83.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -49.85 62.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.44 42.24 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.492 ' O ' HD12 ' A' ' 37' ' ' LEU . 3.5 m -173.51 136.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 109.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.4 p -87.63 143.72 34.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.04 164.18 33.79 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -37.39 -49.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.41 121.14 12.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -126.35 -71.77 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.35 68.42 0.53 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB1' ' HG3' ' A' ' 114' ' ' LYS . . . -56.04 -51.58 67.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.26 -0.42 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.2 mm? 68.74 -60.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 160.12 -23.33 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -95.96 164.63 12.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.88 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.48 121.6 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.799 HG22 HD11 ' A' ' 52' ' ' LEU . 44.7 t -107.66 149.89 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.418 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.7 t -133.89 112.47 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.458 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -100.64 -170.51 29.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.3 12.26 37.63 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.4 ttpt -72.19 119.51 16.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.65 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -83.51 114.51 21.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.4 p -82.34 -167.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -83.31 -13.93 54.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.22 14.19 30.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.42 16.99 61.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -96.16 160.71 14.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.65 HD21 ' SD ' ' A' ' 59' ' ' MET . 35.9 mt -115.38 140.12 49.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -157.22 160.88 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -106.81 124.61 49.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 22.3 m-85 -121.47 142.61 49.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 86' ' ' PRO . 68.5 mt -62.72 139.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.418 HG21 ' CG2' ' A' ' 55' ' ' VAL . 37.0 p -112.19 -46.36 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.77 143.88 23.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.566 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -135.85 111.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -54.35 145.96 16.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 104.52 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.25 26.8 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 80' ' ' THR . 56.1 p -123.74 170.84 10.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.605 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.4 mm? -41.07 -69.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.613 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -68.82 61.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . 7.6 t70 -178.93 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 83' ' ' HIS . 60.9 p -73.03 -28.89 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.376 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 77' ' ' LEU . 15.3 m -117.45 -40.0 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.51 -35.63 22.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.445 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.6 m-70 50.61 32.54 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.591 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.864 HD21 HD13 ' A' ' 31' ' ' ILE . 3.0 mt -67.23 -170.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HA ' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -158.47 149.86 16.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.775 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 93.5 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -25.43 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -60.68 -179.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.5 tt0 -137.09 102.36 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 98' ' ' LEU . 4.3 p -74.65 113.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.565 HD11 ' CB ' ' A' ' 124' ' ' SER . 73.6 mt -79.87 -56.89 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 12.7 mt-10 -114.59 163.79 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.696 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 29.1 t-105 -140.55 92.9 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 74.01 12.01 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.12 -15.63 13.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -81.6 116.01 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.92 132.17 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.538 HD13 HG13 ' A' ' 106' ' ' VAL . 21.1 mt -99.49 -21.43 15.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 91' ' ' LEU . 6.5 mt-30 -57.94 112.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.46 -35.18 4.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -52.07 151.0 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.4 p -86.34 173.78 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -53.83 -50.0 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.91 -47.65 84.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.515 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 4.3 mt-10 -50.99 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.664 ' HA ' HD12 ' A' ' 109' ' ' ILE . 89.9 t -42.8 -51.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -58.85 -61.24 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -42.16 -48.97 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 106' ' ' VAL . 43.9 mt -47.72 -62.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.552 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.6 mt -51.06 -36.2 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.537 HD12 ' HD3' ' A' ' 114' ' ' LYS . 3.4 tp -67.85 -27.23 66.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.7 mt-10 -81.28 -12.49 59.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.08 11.21 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.645 ' HG3' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -64.47 -50.92 63.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -22.66 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 3.7 mt-10 -55.67 138.88 69.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.501 ' HA ' HG11 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.95 -35.91 2.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 111.049 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 3.7 pt20 -132.84 167.34 20.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.625 HG12 ' CD1' ' A' ' 121' ' ' LEU . 55.9 t -141.86 118.74 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -101.16 109.7 21.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.696 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 6.8 mp -92.67 165.42 12.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.19 109.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.431 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.53 153.97 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.565 ' CB ' HD11 ' A' ' 91' ' ' LEU . 12.0 t -143.28 114.6 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 157.19 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.0 -33.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.596 HG21 ' O ' ' A' ' 81' ' ' VAL . 23.7 t -102.45 138.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.74 129.47 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 87.0 m95 -118.7 108.91 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -134.78 152.38 77.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.97 157.63 42.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -72.05 -176.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.8 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.05 -70.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.67 -36.9 1.84 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.44 -23.6 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -106.12 150.85 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.97 119.48 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.56 115.02 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.559 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -108.66 138.7 14.85 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.097 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -123.37 123.46 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.587 HD13 HD21 ' A' ' 84' ' ' LEU . 4.1 mp -117.64 114.6 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 33' ' ' LEU . 3.0 tm? -111.78 136.18 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.638 ' CG ' HD12 ' A' ' 50' ' ' LEU . 2.6 mm? -120.06 145.83 46.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.59 127.57 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -31.85 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -38.22 111.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 43' ' ' PRO . 3.1 mt -63.93 -170.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -38.33 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -34.29 61.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.11 52.79 3.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -130.46 6.74 4.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 8.1 t 61.26 133.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.02 173.99 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -44.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 85.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.02 88.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.09 88.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.982 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.34 -49.39 61.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.52 15.94 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD12 ' CG ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 69.32 -60.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 166.71 -29.22 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -98.29 165.97 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.664 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -111.21 143.5 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.579 ' CG2' HD21 ' A' ' 52' ' ' LEU . 88.8 t -128.21 142.44 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.44 114.02 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.826 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -99.03 -166.31 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.59 18.44 10.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -73.22 122.52 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.47 110.74 13.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.4 p -76.93 -169.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -84.86 -11.12 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.55 16.85 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.1 32.86 85.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.5 mtt-85 -111.0 164.01 13.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -112.8 139.52 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -161.82 156.8 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.34 147.16 27.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 43.4 m-85 -144.25 145.77 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.747 HG22 ' HA ' ' A' ' 86' ' ' PRO . 97.0 mt -69.59 124.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -93.1 -48.77 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -148.5 154.38 39.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 29.8 t -126.85 135.55 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -72.85 119.23 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 103.43 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.65 41.16 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.53 166.65 22.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 81' ' ' VAL . 8.0 mt -40.62 -64.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.904 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.52 61.68 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t0 176.4 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.6 p -82.84 -39.72 21.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.596 ' O ' HG21 ' A' ' 16' ' ' VAL . 12.1 m -108.42 -39.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.14 -37.05 22.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 62.44 15.8 8.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.558 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.904 HD12 ' HB1' ' A' ' 78' ' ' ALA . 17.4 mt -49.99 167.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -149.62 152.39 34.89 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.747 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.06 2.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.559 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.5 m-20 -80.64 155.16 26.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 48.9 tt0 -107.96 104.21 13.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 98' ' ' LEU . 3.2 p -70.73 95.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 122' ' ' VAL . 16.3 mt -56.83 -59.78 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 38.0 mt-10 -119.11 166.24 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.579 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 12.2 t-105 -142.55 92.52 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 5.0 t-20 78.75 -2.47 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.12 -15.73 5.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.963 ' HB3' HD13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -78.55 126.25 30.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 tp -78.46 119.71 22.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.796 HD12 HG13 ' A' ' 90' ' ' VAL . 10.0 mt -86.52 -14.62 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.546 ' NE2' HD22 ' A' ' 91' ' ' LEU . 67.6 mt-30 -64.41 112.13 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.83 -20.91 32.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -55.89 151.99 10.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -94.97 157.34 15.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -40.23 -46.76 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.8 -50.05 75.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.586 ' OE2' HD11 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -50.45 -66.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.826 HG21 ' HA3' ' A' ' 56' ' ' GLY . 59.1 t -40.22 -54.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.04 -60.63 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' GLU . 24.5 m-20 -46.83 -54.41 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.963 HD13 ' HB3' ' A' ' 96' ' ' ARG . 92.8 mt -42.87 -64.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.8 mt -50.78 -36.12 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.647 HD12 ' HD3' ' A' ' 114' ' ' LYS . 5.5 tp -70.0 -28.98 65.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.7 mm-40 -76.69 -20.4 56.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 15.62 25.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.982 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 7.1 mtpt -67.28 -51.9 32.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.5 Cg_endo -74.99 -30.11 7.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 142.99 0.58 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.8 11.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 7.6 pt20 -140.63 167.0 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.514 ' HB ' HD11 ' A' ' 50' ' ' LEU . 15.5 t -144.24 111.2 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 94' ' ' ASN . 5.6 tt0 -96.12 108.11 20.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.579 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 4.0 mt -90.81 163.19 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.1 t -147.99 104.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 88' ' ' ASP . 0.5 OUTLIER -107.01 160.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 25.7 t -139.86 129.58 24.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.14 155.8 48.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -31.24 6.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.752 HG21 ' O ' ' A' ' 81' ' ' VAL . 38.2 t -105.02 141.26 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -153.16 131.39 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.3 m95 -123.89 109.01 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 48.6 mm-40 -140.13 153.5 69.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.1 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -71.07 -173.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.944 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -40.15 78.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.8 -72.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.99 -23.96 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.11 -28.87 69.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -103.46 161.18 14.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -127.18 107.07 9.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.2 mm -84.25 124.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -126.87 134.67 8.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.05 150.43 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.743 HD13 HD21 ' A' ' 84' ' ' LEU . 2.6 mp -143.21 117.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.67 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -116.22 133.98 55.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.055 HD23 HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -118.47 145.51 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -125.95 97.94 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.36 26.13 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -83.94 157.58 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 41' ' ' SER . 16.3 mt -82.94 -172.89 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -67.42 -52.35 40.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -52.04 -41.09 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.01 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.86 ' O ' HD12 ' A' ' 37' ' ' LEU . 16.5 m -140.52 122.39 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.591 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -52.15 140.01 33.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 -172.12 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.515 1.798 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -36.24 -44.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -151.86 -67.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 78.03 40.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.043 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 48.54 68.44 1.28 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' HD3' ' A' ' 114' ' ' LYS . . . -48.3 -24.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -68.21 -6.17 22.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.055 HD22 HD23 ' A' ' 33' ' ' LEU . 2.0 mp 69.22 -60.37 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 145.01 40.77 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -158.81 150.48 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.926 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.64 133.06 53.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.807 HG22 HD11 ' A' ' 52' ' ' LEU . 25.1 t -118.92 146.43 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.2 t -130.71 112.56 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.28 -166.72 24.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.596 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 52.84 19.85 7.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.1 ttpt -77.32 123.1 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.82 115.63 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -91.81 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -86.68 -21.64 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.4 p -80.33 -6.51 58.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.51 22.42 62.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -117.94 168.26 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD22 ' C ' ' A' ' 57' ' ' GLY . 31.0 mt -106.82 135.19 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -143.76 147.32 34.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.15 133.44 42.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 15.4 m-85 -133.25 145.59 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.843 HG22 ' HA ' ' A' ' 86' ' ' PRO . 87.9 mt -68.18 138.13 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.497 HG21 ' CG2' ' A' ' 55' ' ' VAL . 65.7 p -110.4 -45.09 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.15 146.14 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -141.0 114.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -53.97 129.38 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.66 104.62 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 80' ' ' THR . . . 115.72 22.99 4.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.762 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -116.56 177.62 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.47 -60.87 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.914 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -75.06 58.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -177.71 -53.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 76' ' ' SER . 32.6 p -76.06 -41.1 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.752 ' O ' HG21 ' A' ' 16' ' ' VAL . 13.7 m -107.81 -38.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -77.66 -37.18 31.14 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 54.37 43.18 30.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.914 HD12 ' HB1' ' A' ' 78' ' ' ALA . 5.2 mt -80.37 -174.54 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -157.86 147.62 15.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.843 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.04 86.9 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.96 -30.02 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.492 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.7 m-20 -54.76 -176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.525 ' HG3' ' CD1' ' A' ' 68' ' ' PHE . 33.3 tt0 -137.96 101.37 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.484 HG13 HD12 ' A' ' 98' ' ' LEU . 3.5 p -73.34 116.44 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 124' ' ' SER . 49.3 mt -84.49 -58.03 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -112.99 160.72 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.772 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 5.8 t-105 -144.83 92.25 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.4 t-20 71.85 27.16 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.33 -13.37 61.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -83.81 114.85 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 131.04 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.801 ' CD2' HD13 ' A' ' 109' ' ' ILE . 14.9 mt -98.45 -21.17 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.42 114.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.49 -23.51 18.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.17 138.95 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.2 p -76.19 169.85 17.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.6 -38.32 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.89 -44.74 54.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -55.09 -50.97 67.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 109' ' ' ILE . 47.7 t -58.15 -39.79 74.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.99 -47.6 61.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' GLU . 27.3 m-80 -49.43 -33.05 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.801 HD13 ' CD2' ' A' ' 98' ' ' LEU . 10.8 mt -66.24 -72.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.579 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.7 mt -46.89 -36.56 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.28 -37.79 68.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.1 mm-40 -73.56 -27.33 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.8 m -92.25 24.59 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -70.53 -50.4 14.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.97 -27.59 9.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.69 144.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.591 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.03 -32.89 4.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.614 ' HB2' HD21 ' A' ' 32' ' ' LEU . 13.6 pt20 -139.32 162.18 35.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.946 ' HB ' HD21 ' A' ' 50' ' ' LEU . 93.0 t -133.73 120.39 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.591 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -105.73 132.0 52.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.772 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 5.0 mp -118.87 163.39 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.6 t -145.54 111.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -110.35 143.29 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.459 ' HB2' HD11 ' A' ' 91' ' ' LEU . 44.0 t -111.89 109.46 19.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.57 162.34 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.655 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -22.37 14.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -114.26 138.52 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.96 133.64 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CH2' HG21 ' A' ' 123' ' ' VAL . 91.8 m95 -130.07 109.2 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.477 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 29.4 mm-40 -136.85 153.43 75.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.537 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.15 41.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.6 p -79.04 -176.68 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -48.91 -48.96 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.7 -66.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.18 -32.1 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.63 -37.21 39.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -99.32 140.51 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -107.95 111.91 24.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' GLN . 7.9 mm -88.25 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.34 134.49 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 104.25 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 84' ' ' LEU . 2.8 mp -92.04 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 33' ' ' LEU . 1.7 tm? -137.86 130.13 29.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.947 ' HB2' HG13 ' A' ' 119' ' ' VAL . 21.7 mt -121.52 145.11 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -121.27 169.95 10.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ARG . 6.8 mttp -137.42 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' NH1' ' CA ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -38.16 132.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 43' ' ' PRO . 4.0 mt -70.75 -172.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -37.69 84.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.29 -43.26 99.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' NH1' ' A' ' 36' ' ' ARG . . . 115.54 55.52 0.36 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -164.48 139.99 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG21 ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -75.34 126.61 87.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.623 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.92 177.95 7.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -44.65 -28.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.36 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -73.56 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.67 88.81 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -60.52 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.63 4.96 33.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.85 ' HG ' HD13 ' A' ' 33' ' ' LEU . 2.2 mm? 68.76 -61.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.23 -30.15 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.825 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -95.95 168.17 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 109.232 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.825 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.3 138.13 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG2' HD21 ' A' ' 52' ' ' LEU . 87.2 t -114.24 145.91 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.707 HG23 HG21 ' A' ' 70' ' ' THR . 3.5 t -129.56 112.8 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.42 -165.63 24.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.449 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 54.14 18.38 9.24 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -75.56 126.28 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.96 115.45 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -86.41 -167.64 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.99 5.5 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.87 9.79 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.28 20.53 73.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -109.56 174.92 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 57' ' ' GLY . 39.8 mt -112.73 142.02 45.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 78.4 m -152.5 153.4 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -150.36 145.0 25.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.776 HG22 ' HA ' ' A' ' 86' ' ' PRO . 98.2 mt -67.99 130.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.707 HG21 HG23 ' A' ' 55' ' ' VAL . 18.0 p -98.96 -51.53 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -148.03 144.17 27.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -135.25 112.15 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -53.99 138.95 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.63 103.37 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.06 27.73 2.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.91 -175.15 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.653 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.0 mm? -55.46 -58.31 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.787 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -79.08 64.44 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.422 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 16.5 t70 178.01 -52.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.482 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 23.8 p -90.12 -24.31 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.7 -37.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -91.58 -36.72 6.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 95.1 m-70 57.02 36.18 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.63 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.787 HD12 ' HB1' ' A' ' 78' ' ' ALA . 8.3 mt -70.53 -170.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -159.16 142.9 10.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.776 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.29 -25.24 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.77 167.65 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 50.8 tt0 -115.71 107.31 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 43.7 t -71.16 110.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.618 HD11 ' CB ' ' A' ' 124' ' ' SER . 87.4 mt -73.9 -57.34 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -129.69 159.36 36.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 121' ' ' LEU . 5.1 t-105 -135.26 96.43 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.46 20.06 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.45 46.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.582 ' HB3' HD13 ' A' ' 109' ' ' ILE . 15.6 mmt-85 -90.09 112.44 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 133.37 48.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -96.11 -24.41 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.28 113.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.19 -31.4 7.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.103 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.33 141.61 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.4 p -73.29 173.81 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.07 -35.46 75.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -76.57 -43.53 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -54.65 -59.87 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.542 HG21 ' HA3' ' A' ' 56' ' ' GLY . 70.7 t -47.64 -46.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.44 -52.23 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 112' ' ' GLU . 37.1 m-20 -49.89 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.582 HD13 ' HB3' ' A' ' 96' ' ' ARG . 96.9 mt -47.9 -65.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.556 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.4 mt -52.12 -27.37 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.482 HD12 ' HD3' ' A' ' 114' ' ' LYS . 3.3 tp -77.6 -27.66 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ILE . 0.9 OUTLIER -81.75 -13.88 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.405 ' HG ' ' HE1' ' A' ' 93' ' ' TRP . 1.9 m -97.35 12.9 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -65.74 -52.85 39.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -32.1 5.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.28 146.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.558 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 -39.15 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 119' ' ' VAL . 0.3 OUTLIER -131.1 -177.5 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.947 HG13 ' HB2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -154.54 106.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.687 HD22 ' CE3' ' A' ' 93' ' ' TRP . 24.3 mt -91.9 164.69 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 2.8 t -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.529 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -131.47 153.22 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.618 ' CB ' HD11 ' A' ' 91' ' ' LEU . 2.8 t -144.14 111.52 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.95 162.85 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.06 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.433 HG12 HG23 ' A' ' 31' ' ' ILE . 2.8 m -102.71 144.18 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.12 122.51 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.543 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 97.0 m95 -112.58 109.35 18.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -135.74 149.61 69.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.493 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 156.1 43.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.1 p -69.42 -170.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -45.68 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -72.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.19 -30.96 2.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -54.91 -29.75 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -101.63 159.36 15.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -125.97 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' GLN . 19.7 mm -92.73 117.28 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -114.03 136.6 13.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.99 115.1 19.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.818 HD13 HD21 ' A' ' 84' ' ' LEU . 4.7 mp -99.02 158.81 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.4 tm? -141.19 140.73 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 77' ' ' LEU . 5.2 mt -133.96 142.38 47.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -124.28 153.3 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -118.53 -41.74 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -40.6 115.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.82 174.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -49.56 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.78 -45.52 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 45.04 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.4 p -145.07 131.88 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.95 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 117' ' ' PRO . 73.0 t -74.56 132.21 78.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.42 18.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.66 -33.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 103.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.61 43.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 87.62 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -52.74 -52.64 55.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.5 13.08 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 67.1 -73.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.56 39.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -157.67 157.57 33.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.867 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -105.87 135.21 47.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.753 ' CG2' HD11 ' A' ' 52' ' ' LEU . 89.8 t -124.51 146.94 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 103' ' ' PHE . 2.4 p -135.66 112.71 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.68 -172.63 26.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.783 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 62.8 11.41 36.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.8 OUTLIER -72.46 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -76.24 114.38 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -84.84 -164.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.68 -20.7 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 9.03 36.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.037 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.76 19.03 72.89 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -101.06 165.93 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.783 HD22 ' O ' ' A' ' 57' ' ' GLY . 59.2 mt -115.78 137.77 51.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.34 158.42 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.325 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 106' ' ' VAL . . . -90.95 133.37 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' A' ' 89' ' ' GLU . 80.8 m-85 -122.53 145.87 47.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.751 HG22 ' HA ' ' A' ' 86' ' ' PRO . 89.7 mt -84.62 122.41 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.707 HG21 ' HE2' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -91.14 -45.91 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.16 160.66 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 40.8 t -138.28 117.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' GLY . 3.9 tptm -54.54 141.08 32.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 102.84 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.18 44.73 1.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.595 ' N ' HG23 ' A' ' 80' ' ' THR . 6.5 m -137.39 172.95 12.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.4 mm? -42.86 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.612 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -68.86 63.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 77' ' ' LEU . 4.3 t70 175.24 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 76' ' ' SER . 59.2 p -76.12 -27.88 57.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG23 HD23 ' A' ' 33' ' ' LEU . 5.3 m -118.89 -40.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 -45.02 8.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 69.56 9.42 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.818 HD21 HD13 ' A' ' 31' ' ' ILE . 9.3 mt -46.61 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -149.47 153.69 37.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.751 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 107.63 2.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.47 -27.01 1.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.523 ' HB3' HG11 ' A' ' 123' ' ' VAL . 0.6 OUTLIER -67.71 -178.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 42.4 tt0 -135.26 110.12 8.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 21.4 t -75.37 123.8 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 124' ' ' SER . 12.5 mt -95.05 -59.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 122' ' ' VAL . 38.3 mt-10 -113.65 148.77 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.916 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 7.2 t-105 -136.06 93.87 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 74.28 17.33 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.32 -10.83 43.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -84.26 113.64 21.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 tp -66.72 132.87 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 106' ' ' VAL . 35.8 mt -100.76 -20.96 15.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -60.0 117.1 4.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.56 -33.11 5.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.04 144.09 55.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 102' ' ' THR . 6.1 p -76.14 175.8 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CD1' HG23 ' A' ' 55' ' ' VAL . 89.7 t80 -58.74 -48.18 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.42 -42.12 99.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -60.33 -55.42 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 67' ' ' ALA . 36.3 t -53.56 -40.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.8 -54.23 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -42.35 -41.51 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.494 HD13 ' CD2' ' A' ' 98' ' ' LEU . 4.7 mt -55.12 -67.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.1 mt -46.01 -27.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.506 HD23 ' CD ' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -74.79 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.37 -21.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.18 25.01 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 5.3 mtpt -73.35 -50.94 6.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.97 -25.1 12.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -40.9 141.88 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.462 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.98 -31.49 6.19 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 2.4 pt20 -142.0 170.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.683 HG12 ' CD1' ' A' ' 121' ' ' LEU . 3.0 t -144.04 122.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -104.49 106.13 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.916 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 1.9 mp -98.78 161.38 13.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.748 HG22 ' H ' ' A' ' 92' ' ' GLU . 1.3 m -145.77 139.85 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -134.39 142.72 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.658 ' HB2' HD11 ' A' ' 91' ' ' LEU . 3.4 t -106.23 125.84 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.4 163.38 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 23.3 m-70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.02 -40.14 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 m -100.65 143.85 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.44 123.93 10.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 86.6 m95 -109.55 109.32 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.7 mp0 -133.68 150.4 74.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 159.41 41.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -76.47 172.7 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -51.0 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -64.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.77 -30.28 3.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -51.62 -24.48 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' NH2' ' HB3' ' A' ' 126' ' ' SER . 3.9 mmt180 -111.99 155.29 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -120.79 119.08 31.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' GLN . 15.9 mm -94.54 110.6 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.26 135.62 12.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' C ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 135.41 54.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.754 HD13 HD21 ' A' ' 84' ' ' LEU . 4.0 mp -131.52 111.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 15' ' ' PRO . 5.3 tp -108.8 116.3 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.782 HD23 HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -103.71 145.43 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 118' ' ' GLN . 12.7 t-20 -136.62 123.67 21.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.82 -28.67 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -39.0 106.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 41' ' ' SER . 3.4 mt -51.2 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -49.86 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.16 -37.37 54.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.65 48.4 0.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 37' ' ' LEU . 45.1 m -155.23 136.01 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.815 HG21 ' HA ' ' A' ' 117' ' ' PRO . 95.4 t -75.78 135.87 70.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.41 -33.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.84 78.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -53.08 -56.02 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 178.5 70.43 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.158 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.488 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -49.3 -46.19 46.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.98 -14.92 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.969 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.782 HD22 HD23 ' A' ' 33' ' ' LEU . 1.8 mp 68.85 7.26 6.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.05 44.78 44.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -157.71 155.63 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.697 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.8 144.71 43.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.726 HG23 HD11 ' A' ' 52' ' ' LEU . 57.3 t -134.82 143.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.673 HG23 ' CE1' ' A' ' 103' ' ' PHE . 5.7 p -124.47 111.09 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.49 -174.62 32.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.775 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 57.96 14.65 17.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.48 119.06 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.494 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -76.88 112.51 13.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 p -83.37 -166.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.461 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.24 -8.09 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.22 -4.39 35.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.13 7.97 84.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.74 158.42 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 57' ' ' GLY . 43.4 mt -107.59 144.14 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -158.61 152.54 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.707 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.28 135.48 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 96.3 m-85 -127.22 138.09 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 86' ' ' PRO . 72.0 mt -74.53 124.81 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.455 HG21 ' HE2' ' A' ' 53' ' ' LYS . 21.8 p -94.14 -45.05 7.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -151.21 155.9 39.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 47.8 t -131.38 130.83 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -61.41 112.53 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 104.43 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.7 45.75 1.74 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -139.49 170.24 16.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.3 mt -43.76 -65.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.589 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.68 61.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t0 176.95 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.528 ' HG1' ' H ' ' A' ' 80' ' ' THR . 29.1 p -87.5 -41.47 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.505 HG23 ' CD1' ' A' ' 33' ' ' LEU . 4.9 m -103.51 -37.38 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.27 -36.18 24.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.2 m80 64.36 18.59 11.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.754 HD21 HD13 ' A' ' 31' ' ' ILE . 12.7 mt -59.72 166.91 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 158.73 32.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.77 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.98 111.59 3.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.82 -20.85 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CG ' HG21 ' A' ' 123' ' ' VAL . 1.2 m-20 -70.96 175.11 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 91' ' ' LEU . 43.2 tt0 -129.81 104.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.676 HG13 ' HB3' ' A' ' 67' ' ' ALA . 2.4 p -73.66 100.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -62.79 -61.59 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.851 ' OE2' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -113.18 175.01 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CH2' HD13 ' A' ' 50' ' ' LEU . 12.2 t-105 -150.79 94.72 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 107.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.46 16.2 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.87 -7.61 35.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 12.8 mmt-85 -89.64 125.01 35.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.851 HD12 ' OE2' ' A' ' 92' ' ' GLU . 1.7 tp -75.47 128.46 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.453 HD22 HG13 ' A' ' 106' ' ' VAL . 50.9 mt -95.5 -17.94 21.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -62.5 119.82 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.95 -41.49 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 143.6 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 106' ' ' VAL . 6.8 p -75.33 174.18 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.673 ' CE1' HG23 ' A' ' 55' ' ' VAL . 73.3 t80 -59.02 -48.16 82.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.28 -41.81 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.17 -51.75 67.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 102' ' ' THR . 92.7 t -52.31 -43.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 2.9 t80 -63.01 -47.13 84.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -51.63 -33.2 32.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 106' ' ' VAL . 25.6 mt -68.98 -52.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.548 HG23 ' CZ2' ' A' ' 93' ' ' TRP . 5.9 mt -63.23 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.535 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.6 tm? -71.95 -32.5 67.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.5 -22.98 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -94.42 24.75 4.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 4.5 mtpp -72.77 -48.08 8.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.93 -4.56 15.59 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 5.9 mt-10 -72.64 135.07 81.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.815 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.96 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 16.0 mt-30 -122.24 174.1 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.615 ' HB ' HD21 ' A' ' 50' ' ' LEU . 60.0 t -155.18 103.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -92.15 107.9 19.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.441 ' CD2' HG12 ' A' ' 119' ' ' VAL . 6.9 mt -93.22 162.25 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 91' ' ' LEU . 22.5 t -147.71 111.57 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -111.57 160.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.458 ' HB3' HD21 ' A' ' 91' ' ' LEU . 12.3 t -140.95 107.2 5.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.23 165.44 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.402 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.29 2.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 31' ' ' ILE . 3.4 m -103.28 154.38 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.79 120.23 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.433 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.1 m95 -106.78 109.41 21.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -133.69 150.84 75.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.606 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 158.17 42.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.7 p -70.77 -173.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -43.74 85.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.82 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.55 -21.86 3.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.577 1.173 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -65.18 -35.45 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -95.13 164.99 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -129.83 119.02 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mm -98.26 111.0 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.3 146.57 16.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.9 mtm180 -128.54 127.86 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.626 HG23 ' HA2' ' A' ' 82' ' ' GLY . 3.7 mp -119.11 108.2 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.83 123.25 35.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.87 ' CB ' HG13 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -110.89 122.77 48.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -98.55 168.11 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.8 mtpp -142.66 -46.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.1 mtt180 -37.99 111.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.48 -139.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -43.91 21.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -26.6 60.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.43 53.9 5.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -125.86 1.59 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 ' HA ' ' A' ' 117' ' ' PRO . 40.5 t 59.96 129.23 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -75.02 158.55 42.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -52.84 9.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.86 -77.41 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 7.4 p 69.32 57.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.9 75.56 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -56.75 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.3 11.5 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.836 HD11 HG11 ' A' ' 119' ' ' VAL . 1.6 mm? 68.58 -61.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.94 -31.74 0.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.982 HD13 HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -96.16 171.35 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.712 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.85 107.07 12.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 52' ' ' LEU . 47.9 t -89.55 140.53 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.728 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.4 t -122.36 112.54 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.16 -175.45 28.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 62.73 12.01 39.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.98 130.55 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.781 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.2 tpt -91.67 111.89 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.3 p -80.52 -162.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.61 0.41 56.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.99 6.71 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.43 6.36 70.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.85 160.26 15.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD21 ' SD ' ' A' ' 59' ' ' MET . 43.9 mt -112.58 143.51 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.1 t -160.45 159.38 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -102.58 127.86 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 44.9 m-85 -124.03 142.24 51.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.982 HG23 HD13 ' A' ' 52' ' ' LEU . 76.5 mt -64.77 133.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.728 HG21 ' CG2' ' A' ' 55' ' ' VAL . 18.5 p -104.69 -51.51 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -144.55 149.99 36.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 78' ' ' ALA . 61.7 t -126.83 118.68 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 132.58 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 102.63 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 47.48 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 80' ' ' THR . 50.4 m -138.6 164.35 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 3.9 mm? -39.16 -61.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.687 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -72.11 59.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 176.42 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 76' ' ' SER . 24.0 p -76.78 -42.25 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 33' ' ' LEU . 16.1 m -107.65 -40.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.626 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -79.32 -42.06 12.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.8 m80 65.3 10.96 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.597 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD21 HD13 ' A' ' 31' ' ' ILE . 8.2 mt -48.21 173.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -153.64 156.12 32.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.594 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.97 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.1 -25.58 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -179.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.25 107.48 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.69 HG13 HD12 ' A' ' 98' ' ' LEU . 2.8 p -74.46 101.77 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 124' ' ' SER . 49.4 mt -64.0 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -115.44 162.58 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CD2' ' CD2' ' A' ' 121' ' ' LEU . 5.7 t-105 -141.16 96.32 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.8 t-20 70.39 25.72 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.49 -9.14 60.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.477 ' HB3' HD13 ' A' ' 109' ' ' ILE . 13.9 mmt180 -88.77 118.77 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.3 132.93 42.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.69 HD12 HG13 ' A' ' 90' ' ' VAL . 14.6 mt -98.68 -22.22 16.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -57.22 114.08 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.44 -27.32 15.94 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.92 144.13 49.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.5 p -79.31 172.15 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.401 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 60.2 t80 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.24 -50.79 59.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.47 -60.56 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.557 HG21 ' HA3' ' A' ' 56' ' ' GLY . 74.0 t -46.05 -51.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -58.47 -60.72 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.1 m-80 -40.2 -50.03 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 96' ' ' ARG . 90.9 mt -47.96 -65.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -46.87 -40.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.574 HD12 ' HD3' ' A' ' 114' ' ' LYS . 10.3 tp -67.85 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.3 mt-10 -74.39 -5.05 40.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -112.77 12.88 19.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.574 ' HD3' HD12 ' A' ' 111' ' ' LEU . 22.0 mtpt -65.85 -51.98 44.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -40.94 145.03 0.58 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.484 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.03 -27.63 9.81 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -146.84 176.86 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.87 HG13 ' CB ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -149.55 111.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.06 102.89 14.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.629 ' CD2' ' CD2' ' A' ' 93' ' ' TRP . 16.4 mt -93.11 165.08 13.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.7 t -143.55 126.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.457 ' CG2' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -118.55 146.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.547 ' HB2' HD11 ' A' ' 91' ' ' LEU . 32.4 t -125.33 127.09 46.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -137.98 162.02 35.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.519 ' CD2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -23.67 13.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.766 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.75 142.27 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.519 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -151.54 121.34 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.711 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 88.2 m95 -111.21 109.59 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.94 150.93 74.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.53 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 p -64.57 -175.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -52.87 57.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -74.85 -81.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.78 46.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.15 -41.91 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -107.57 142.44 37.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.28 107.35 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.8 mm -85.32 122.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -117.62 118.36 4.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -111.46 107.69 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.711 HD11 ' CZ2' ' A' ' 18' ' ' TRP . 2.7 mp -102.94 156.32 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.794 HD13 ' N ' ' A' ' 33' ' ' LEU . 2.9 tm? -141.56 143.58 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.882 HD13 HD12 ' A' ' 50' ' ' LEU . 3.2 mt -134.47 145.26 48.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -133.42 132.48 41.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HG2' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -115.86 -10.5 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -41.06 132.03 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 43' ' ' PRO . 20.0 mt -76.88 -172.18 2.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -58.52 -31.41 67.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.09 -31.78 27.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.43 48.44 4.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' VAL . 16.2 m -128.67 5.22 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG22 ' HG2' ' A' ' 35' ' ' LYS . 36.8 t 60.34 132.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.683 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 164.19 33.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -38.48 -51.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.93 107.57 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -103.83 -70.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.11 80.11 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.81 -60.09 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.26 3.84 53.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.882 HD12 HD13 ' A' ' 33' ' ' LEU . 1.8 mm? 68.75 6.78 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.7 -13.13 65.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -103.17 163.39 12.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.833 ' N ' HD12 ' A' ' 52' ' ' LEU . 80.1 tttt -120.45 142.9 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.75 ' CG2' HD11 ' A' ' 52' ' ' LEU . 75.6 t -131.56 136.62 56.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.859 HG23 HG21 ' A' ' 70' ' ' THR . 3.5 t -114.66 113.05 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.61 -167.7 32.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 53.58 18.93 8.36 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.8 ttpt -71.1 120.8 17.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.25 115.86 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.467 ' HG1' ' C ' ' A' ' 64' ' ' ARG . 18.3 p -85.12 -171.01 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -86.16 -6.39 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.51 15.22 24.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.61 71.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' C ' ' HG1' ' A' ' 60' ' ' THR . 1.0 OUTLIER -104.1 167.69 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 57' ' ' GLY . 27.9 mt -109.48 143.98 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 m -152.03 165.01 36.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' VAL . . . -115.41 143.53 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 31.6 m-85 -144.48 144.24 31.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.856 HG22 ' HA ' ' A' ' 86' ' ' PRO . 87.8 mt -63.86 140.79 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.859 HG21 HG23 ' A' ' 55' ' ' VAL . 30.9 p -111.89 -46.38 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 144.85 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.568 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.84 109.63 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -53.61 149.28 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 108.34 19.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.466 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.08 19.59 5.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -111.06 171.6 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.838 HD22 ' HB3' ' A' ' 33' ' ' LEU . 4.4 mt -44.76 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.793 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.81 59.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -169.36 -52.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.555 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 30.8 p -86.53 -38.64 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.597 HG23 ' CD2' ' A' ' 33' ' ' LEU . 16.5 m -104.94 -38.87 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.686 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -79.17 -45.86 8.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.555 ' CE1' ' O ' ' A' ' 80' ' ' THR . 95.8 m-70 64.03 34.01 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -71.99 -172.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.412 ' HA ' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -160.07 150.81 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.856 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.93 90.77 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.46 -37.59 0.25 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.537 ' HB3' HG11 ' A' ' 123' ' ' VAL . 3.4 m-20 -50.4 179.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 0.727 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.533 ' C ' HG12 ' A' ' 123' ' ' VAL . 53.7 tt0 -136.77 100.83 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 98' ' ' LEU . 7.2 p -74.95 123.69 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.4 mt -91.57 -54.26 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -111.7 160.02 17.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 18.2 t-105 -142.81 92.14 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.1 t-20 76.85 13.85 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.73 -10.57 30.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.13 118.85 25.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.73 131.32 44.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 106' ' ' VAL . 26.0 mt -97.07 -22.56 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -56.94 117.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.25 -31.16 7.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.18 143.95 51.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 p -81.08 167.04 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -46.04 -47.34 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.95 -54.4 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.59 -56.31 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.609 ' HA ' HD12 ' A' ' 109' ' ' ILE . 83.8 t -50.96 -51.7 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ASN . 7.1 t80 -59.05 -58.48 8.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' TYR . 41.6 m-20 -40.23 -48.54 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 106' ' ' VAL . 30.9 mt -51.03 -56.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.2 mt -56.14 -23.72 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.42 -25.26 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.12 -18.12 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -95.04 7.66 45.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -58.68 -51.87 78.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.01 -30.54 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.83 145.84 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.557 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -33.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 3.4 pt20 -136.41 179.05 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.0 t -147.46 108.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.07 122.35 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.445 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 8.1 mt -106.01 161.4 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -148.68 102.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.537 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -108.91 143.94 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -116.12 117.62 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.3 163.89 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.69 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.862 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.1 m -97.76 147.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -149.74 122.56 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.587 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 89.9 m95 -117.67 109.07 16.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 19.6 mm-40 -140.21 152.31 66.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.04 164.1 33.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -64.75 170.1 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -42.75 -57.1 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.54 -70.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.76 43.26 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.31 -45.27 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -100.05 148.8 24.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.68 128.31 48.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -109.26 99.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -95.53 126.17 8.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HG3' HG13 ' A' ' 122' ' ' VAL . 3.3 mtt180 -119.91 116.08 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.944 HD13 HD21 ' A' ' 84' ' ' LEU . 3.8 mp -107.24 136.95 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -128.7 134.06 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -119.65 145.11 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -116.16 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.658 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -111.23 -19.55 12.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 7.1 mtp-105 -65.2 115.64 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.503 HD11 ' CD ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -68.93 -143.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -48.89 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -42.7 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 36' ' ' ARG . . . 94.71 44.11 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.752 ' O ' ' O ' ' A' ' 42' ' ' VAL . 59.9 m -140.65 0.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.752 ' O ' ' O ' ' A' ' 41' ' ' SER . 5.3 p 48.27 143.97 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 166.25 29.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -38.16 -50.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -150.96 111.38 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.0 44.71 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 62.32 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' A' ' 114' ' ' LYS . . . -53.13 -32.37 47.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.58 5.01 25.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 50' ' ' LEU . 2.6 mm? 68.68 -59.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 153.49 -20.99 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.786 HD21 HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -97.14 159.14 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.648 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.01 144.65 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.786 HG23 HD21 ' A' ' 52' ' ' LEU . 75.3 t -135.71 138.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.629 ' CG2' HG21 ' A' ' 70' ' ' THR . 12.4 t -114.32 112.28 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.32 -173.29 34.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 64.75 9.5 39.47 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.8 129.42 39.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.415 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -92.14 123.48 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 64' ' ' ARG . 18.1 p -95.45 -163.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.78 -28.93 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 p -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.78 -15.48 48.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' HG23 ' A' ' 60' ' ' THR . 9.0 mtt85 -79.37 142.78 35.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 57' ' ' GLY . 17.7 mt -89.86 148.33 23.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -154.45 164.18 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -110.17 144.73 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 41.7 m-85 -140.19 149.41 42.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.827 HG22 ' HA ' ' A' ' 86' ' ' PRO . 86.3 mt -69.4 140.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.629 HG21 ' CG2' ' A' ' 55' ' ' VAL . 32.7 p -116.43 -34.03 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.28 142.52 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.72 112.65 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -55.68 148.67 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.57 109.64 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 113.9 21.89 5.51 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.438 ' N ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -118.08 166.1 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.038 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -43.08 -60.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -74.54 57.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -179.91 -51.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.477 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 41.2 p -75.97 -34.51 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.862 ' O ' HG11 ' A' ' 16' ' ' VAL . 6.9 m -114.76 -38.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.31 -31.79 33.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.452 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.4 m-70 48.27 35.09 5.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.944 HD21 HD13 ' A' ' 31' ' ' ILE . 6.4 mt -66.65 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.509 ' HA ' HG11 ' A' ' 72' ' ' VAL . 16.0 mmt180 -158.54 150.67 17.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.827 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.06 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.34 42.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.668 ' OD2' HG11 ' A' ' 123' ' ' VAL . 0.4 OUTLIER -126.77 -178.32 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -134.71 105.47 6.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.462 ' HB ' HD12 ' A' ' 98' ' ' LEU . 3.1 t -76.72 119.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 124' ' ' SER . 99.2 mt -81.04 -55.69 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 26.0 mt-10 -125.36 160.64 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.58 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 14.4 t-105 -136.66 92.49 2.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.3 t-20 72.19 24.49 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.34 -15.83 46.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -83.32 113.02 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.33 132.0 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.557 HD13 HG13 ' A' ' 106' ' ' VAL . 19.6 mt -95.03 -23.44 17.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -53.61 115.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.087 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.06 -32.31 6.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.05 142.24 25.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.9 p -77.33 177.16 8.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.411 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 17.0 t80 -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.0 -37.74 78.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.29 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.642 ' HA ' HD12 ' A' ' 109' ' ' ILE . 78.2 t -47.19 -49.62 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -59.41 -51.72 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -51.83 -44.87 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 106' ' ' VAL . 60.3 mt -50.95 -62.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.58 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -52.12 -26.3 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.63 -27.87 37.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.4 mt-10 -70.6 -31.82 68.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 p -90.76 24.82 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.543 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -61.0 -57.24 27.76 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.91 135.74 0.8 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.436 ' HA ' HG11 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 -21.11 16.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.84 170.73 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.593 HG12 ' CD1' ' A' ' 121' ' ' LEU . 48.0 t -145.36 125.07 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 94' ' ' ASN . 3.4 tt0 -108.89 118.46 36.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.593 ' CD1' HG12 ' A' ' 119' ' ' VAL . 3.8 mp -104.69 161.62 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.66 HG13 ' HG3' ' A' ' 30' ' ' ARG . 2.6 t -147.24 118.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.668 HG11 ' OD2' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -119.33 146.93 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.756 ' HB2' HD11 ' A' ' 91' ' ' LEU . 17.0 t -115.2 123.32 48.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 160.5 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 t -141.06 142.71 34.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.987 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.33 134.27 12.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 -161.76 10.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 p -163.46 -58.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.25 109.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.49 103.27 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -106.77 143.83 34.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 0.725 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 t -75.33 147.43 40.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -104.12 145.32 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.3 m -69.74 -173.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 48.07 76.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.92 67.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.75 119.9 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.56 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.527 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.99 -45.1 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 81' ' ' VAL . 23.5 t -102.11 133.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.79 125.91 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.52 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 90.2 m95 -118.14 108.71 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -132.94 150.56 75.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.554 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 160.96 39.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -77.21 -177.51 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.22 -43.65 64.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -73.25 -65.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.23 -34.11 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.17 -20.01 16.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -110.56 152.09 26.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -121.17 120.56 35.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.78 106.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -98.4 127.19 9.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.03 117.6 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.781 HD13 HD21 ' A' ' 84' ' ' LEU . 4.0 mp -111.37 151.87 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.3 tm? -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 HD12 ' A' ' 50' ' ' LEU . 4.1 mt -135.48 144.67 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -119.33 168.42 10.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ARG . 10.9 mttp -135.61 -46.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.1 mtm180 -37.73 110.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 41' ' ' SER . 3.4 mt -49.07 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -46.63 47.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.82 -36.18 64.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 31.81 2.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.092 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' HD12 ' A' ' 37' ' ' LEU . 70.9 m -133.73 132.25 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG13 ' HD2' ' A' ' 43' ' ' PRO . 75.3 t -71.8 137.72 82.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.02 -174.95 2.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -63.24 -21.2 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER 161.75 108.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -106.86 48.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.82 85.37 1.33 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.744 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -52.4 -38.68 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -89.85 11.46 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 68.8 -62.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.89 -30.63 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.956 HD23 HG23 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -97.07 149.2 22.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.834 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -100.04 136.55 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.647 ' CG2' HD21 ' A' ' 52' ' ' LEU . 54.9 t -121.02 132.88 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.643 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.9 t -118.56 112.68 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.68 -173.79 28.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 58.76 14.93 24.79 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.84 128.22 35.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.459 ' HE1' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -80.93 116.66 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.0 p -83.55 -167.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.95 -4.01 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.43 1.27 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' ' HE1' ' A' ' 59' ' ' MET . . . 80.18 9.01 87.08 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.33 168.03 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.48 148.11 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.4 m -161.62 145.93 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.07 132.12 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -132.34 148.83 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.956 HG23 HD23 ' A' ' 52' ' ' LEU . 68.0 mt -71.66 124.92 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' CG2' ' A' ' 55' ' ' VAL . 73.3 p -91.28 -44.49 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -152.57 152.96 32.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.654 HG21 ' CA ' ' A' ' 85' ' ' ARG . 16.7 t -131.67 118.37 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -57.29 144.47 35.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -93.82 104.27 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.81 43.35 2.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -136.41 171.28 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.96 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.733 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.3 mm? -41.68 -70.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.774 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.64 68.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.3 t70 176.38 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 76' ' ' SER . 36.2 p -87.56 -38.35 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.704 ' O ' HG21 ' A' ' 16' ' ' VAL . 7.0 m -104.8 -39.38 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -81.55 -41.72 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 68.95 13.19 8.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.781 HD21 HD13 ' A' ' 31' ' ' ILE . 27.1 mt -55.9 164.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.654 ' CA ' HG21 ' A' ' 72' ' ' VAL . 2.5 mtp180 -153.38 162.58 26.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.84 4.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.33 -7.55 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.659 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -87.44 164.16 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 55.7 tt0 -121.38 113.84 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 98' ' ' LEU . 18.9 t -75.86 101.08 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 122' ' ' VAL . 1.1 mm? -66.82 -59.05 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -124.21 166.64 15.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.813 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 10.3 t-105 -145.24 103.88 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.438 ' OD1' ' HA ' ' A' ' 119' ' ' VAL . 7.4 m-20 63.03 16.56 9.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.29 -3.55 33.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -92.8 112.23 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.31 130.07 41.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.706 ' CD2' HD13 ' A' ' 109' ' ' ILE . 18.9 mt -98.24 -20.22 17.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -54.44 106.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.6 -30.41 9.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.95 142.32 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -76.53 171.27 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.41 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 58.1 t80 -55.05 -37.09 66.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -75.51 -48.13 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.27 -53.34 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.664 ' HA ' HD12 ' A' ' 109' ' ' ILE . 53.9 t -55.46 -51.28 58.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -58.1 -47.76 82.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -48.7 -52.74 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.706 HD13 ' CD2' ' A' ' 98' ' ' LEU . 9.1 mt -45.42 -74.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.2 mt -39.61 -30.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.612 HD23 ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -72.59 -58.52 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.33 -15.0 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -121.66 23.92 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.744 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -77.63 -48.32 2.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.01 -18.05 19.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.91 152.79 0.53 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.441 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 -40.29 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.3 pt20 -127.46 169.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.684 HG12 ' CD1' ' A' ' 121' ' ' LEU . 39.2 t -144.11 113.31 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 32' ' ' LEU . 8.6 tt0 -104.26 108.72 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.813 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 1.3 mp -94.87 165.18 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 91' ' ' LEU . 23.2 t -147.47 110.67 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.1 p -109.44 163.31 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.466 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 19.8 m -150.1 111.99 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.21 154.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.2 p -92.21 108.28 19.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -68.07 -162.04 2.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 128.56 11.6 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.542 1.811 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.8 t -174.46 80.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 t -92.9 -60.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 m 40.95 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 p -54.13 125.52 19.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.92 -169.34 13.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 p -117.42 133.14 56.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.35 -58.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.46 -130.91 7.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -43.39 164.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.63 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -124.26 168.29 13.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -76.17 142.91 41.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.585 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.92 73.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -123.9 73.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -72.21 -107.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.6 m-70 -95.38 143.2 25.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.618 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 81' ' ' VAL . 21.9 t -103.17 133.95 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.07 126.82 12.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.7 m95 -122.33 109.13 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.961 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.487 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.62 153.22 74.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 162.21 37.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -65.09 176.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.35 -53.46 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.59 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 127' ' ' GLY . 1.0 OUTLIER -118.82 -46.53 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.96 142.23 28.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -106.24 104.71 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 28' ' ' ILE . 4.8 mm -86.09 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -127.06 145.16 15.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' C ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -119.46 145.97 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.641 HD13 HD21 ' A' ' 84' ' ' LEU . 3.5 mp -139.61 108.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 15' ' ' PRO . 8.4 tp -103.94 116.66 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.554 ' CG ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -99.58 142.29 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.15 119.44 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -7.71 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -49.91 117.96 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.6 mt -48.0 173.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -98.7 29.96 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.94 59.19 5.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -154.21 126.06 7.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.931 HG21 ' HA ' ' A' ' 117' ' ' PRO . 86.9 t -82.21 134.08 49.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.04 171.03 19.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.2 -36.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.38 105.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -55.62 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.22 75.0 0.1 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.974 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.42 -41.91 61.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.65 7.63 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER 68.16 -64.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 171.99 -36.85 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -96.62 162.46 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.886 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.23 124.37 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.653 ' CG2' HD21 ' A' ' 52' ' ' LEU . 74.0 t -105.95 136.49 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -122.78 112.72 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.461 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.59 -175.85 24.96 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.442 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 65.81 8.85 43.16 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 123.62 21.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.699 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.3 tpt -80.89 109.61 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.3 p -71.01 -165.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.41 1.95 56.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.18 5.03 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.45 11.31 85.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.48 169.64 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.699 HD21 ' SD ' ' A' ' 59' ' ' MET . 44.2 mt -113.83 145.44 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -157.55 144.9 18.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.55 126.38 38.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -126.36 145.21 50.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 86' ' ' PRO . 97.4 mt -71.47 128.31 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.1 p -92.98 -54.23 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.437 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -145.13 155.55 43.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 52' ' ' LEU . 63.4 t -129.5 120.1 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 14.8 tptt -60.58 131.99 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.75 104.49 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.59 39.65 2.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 80' ' ' THR . 5.9 t -131.05 167.69 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.0 mm? -40.78 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.814 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -71.44 62.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 73' ' ' LYS . 9.4 t0 177.48 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 76' ' ' SER . 44.4 p -82.3 -34.73 28.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.544 HG23 HD12 ' A' ' 33' ' ' LEU . 6.1 m -112.38 -41.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.61 -36.4 19.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 61.0 15.01 5.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.615 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.814 HD12 ' HB1' ' A' ' 78' ' ' ALA . 11.8 mt -49.6 171.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.25 155.04 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.783 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.05 112.85 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.21 -10.25 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.777 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.5 m-20 -78.22 -178.23 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 91' ' ' LEU . 34.8 tt0 -136.59 113.38 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -77.78 100.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 124' ' ' SER . 0.5 OUTLIER -64.99 -59.25 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -120.28 167.5 12.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.905 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 14.3 t-105 -149.64 105.7 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 119' ' ' VAL . 11.3 m-20 63.21 16.08 9.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.91 45.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.505 ' HB3' HD13 ' A' ' 109' ' ' ILE . 1.6 mmt85 -102.79 112.66 25.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.96 132.12 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD13 HG13 ' A' ' 106' ' ' VAL . 30.9 mt -100.43 -20.48 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -53.64 107.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.441 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 99.61 -39.1 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.55 145.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.1 p -78.18 178.18 7.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.419 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 74.8 t80 -62.73 -40.87 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.24 -40.11 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.39 -64.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 98' ' ' LEU . 81.6 t -44.54 -47.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -62.35 -61.82 2.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -40.75 -49.38 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' A' ' 96' ' ' ARG . 97.2 mt -48.05 -65.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -50.85 -38.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 114' ' ' LYS . 23.1 tp -63.7 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.03 -11.97 60.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -123.64 24.7 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.974 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 6.8 mttt -72.49 -50.85 7.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.05 -21.69 15.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.88 146.57 0.31 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.931 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 -34.98 3.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -131.41 173.94 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.689 HG12 HD13 ' A' ' 121' ' ' LEU . 60.6 t -150.15 126.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -113.0 110.01 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.905 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 3.5 mp -98.85 162.14 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 91' ' ' LEU . 31.2 t -147.79 107.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 1.3 p -108.07 159.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.563 ' HB2' HD21 ' A' ' 91' ' ' LEU . 3.2 m -126.28 141.51 51.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.04 162.95 22.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.0 p -109.49 109.22 19.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -41.74 164.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 137.95 22.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 p -179.23 157.86 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.32 136.82 49.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -157.78 85.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m 60.94 165.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.72 161.27 20.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -79.47 154.16 29.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.72 148.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.68 124.48 2.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -88.24 109.41 19.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.637 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 85.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -84.34 -63.49 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.601 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.6 p 179.16 75.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -135.79 76.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -114.19 67.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -57.08 150.56 39.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.475 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.5 m -100.12 146.9 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.04 123.46 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.555 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 89.3 m95 -107.75 109.56 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -134.54 148.98 69.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.99 160.8 39.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 p -76.68 179.17 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -53.44 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -65.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.33 -32.36 2.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -29.76 16.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -102.24 153.01 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.766 HD23 ' HA ' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -121.5 114.76 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.437 HD12 ' OG ' ' A' ' 124' ' ' SER . 10.2 mm -92.4 116.72 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -107.3 137.73 14.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' C ' HD12 ' A' ' 31' ' ' ILE . 2.7 mtt180 -118.84 141.61 48.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 1.005 HD13 HD21 ' A' ' 84' ' ' LEU . 2.8 mp -140.43 109.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 15' ' ' PRO . 8.0 tp -104.46 114.98 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -96.86 135.05 39.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -127.99 113.62 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -84.53 -33.93 23.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -41.52 111.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 41' ' ' SER . 4.7 mt -51.27 172.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -45.32 62.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -38.93 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.42 48.13 0.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' HD12 ' A' ' 37' ' ' LEU . 5.7 m -153.52 130.95 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG21 ' HA ' ' A' ' 117' ' ' PRO . 69.5 t -64.28 133.24 95.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.783 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -39.04 -37.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.11 -47.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 71.71 34.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.6 91.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.28 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.19 12.36 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER 69.06 -61.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 165.24 -28.4 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.823 HD13 HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -97.47 169.97 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.771 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.16 119.82 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.682 ' CG2' HD11 ' A' ' 52' ' ' LEU . 86.9 t -102.6 139.38 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.578 HG23 HG21 ' A' ' 70' ' ' THR . 3.2 t -122.7 112.47 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 -174.37 33.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 61.06 13.02 32.67 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 127.27 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.824 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.6 tpt -90.2 104.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.1 p -70.66 -161.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -2.85 51.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.71 8.1 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.3 10.74 79.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -91.58 154.96 18.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.824 HD21 ' SD ' ' A' ' 59' ' ' MET . 37.2 mt -112.23 136.95 51.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.7 t -161.99 147.29 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.602 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.16 131.95 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 56.2 m-85 -126.5 141.33 51.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.823 HG23 HD13 ' A' ' 52' ' ' LEU . 77.2 mt -61.93 130.94 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.578 HG21 HG23 ' A' ' 55' ' ' VAL . 11.9 p -103.49 -47.56 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -149.95 145.74 26.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.582 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -139.02 107.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -53.82 145.22 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 107.07 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.45 21.38 5.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 80' ' ' THR . 80.7 p -116.71 167.4 11.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.9 mm? -42.25 -61.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.75 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -74.63 58.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 8.8 t70 178.66 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.475 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 40.3 p -80.62 -33.73 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.682 ' O ' HG11 ' A' ' 16' ' ' VAL . 7.4 m -115.91 -39.72 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.38 -25.31 54.83 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 80' ' ' THR . 94.6 m-70 40.33 40.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.005 HD21 HD13 ' A' ' 31' ' ' ILE . 5.4 mt -74.15 -171.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -156.46 147.73 16.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.801 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.99 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.23 -18.0 1.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -68.15 -171.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 91' ' ' LEU . 27.5 tt0 -136.68 108.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.726 HG13 HD12 ' A' ' 98' ' ' LEU . 5.8 p -77.84 99.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -63.11 -59.66 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -117.15 168.0 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.788 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 9.8 t-105 -147.67 93.2 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 1.8 t30 77.97 18.56 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.69 -2.99 52.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 113.39 25.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.16 133.45 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.726 HD12 HG13 ' A' ' 90' ' ' VAL . 28.6 mt -97.96 -23.35 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.59 115.78 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.98 -27.83 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.44 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.9 p -85.61 170.8 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.9 -46.07 42.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.55 -54.87 25.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -48.1 -58.31 4.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 109' ' ' ILE . 75.7 t -50.62 -48.05 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.49 -54.94 36.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -43.6 -49.26 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 106' ' ' VAL . 52.7 mt -46.82 -74.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.2 mt -40.63 -33.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -68.24 -57.32 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.97 -16.88 13.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -125.34 24.79 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.474 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -74.47 -54.17 3.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -11.92 21.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.447 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.44 150.3 0.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.98 -33.53 4.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 3.1 pt20 -138.39 165.93 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.595 HG12 ' CD1' ' A' ' 121' ' ' LEU . 37.9 t -147.43 118.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -98.99 102.6 14.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.788 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 7.1 mp -87.76 161.67 17.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 91' ' ' LEU . 37.6 t -148.16 109.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.7 OUTLIER -106.96 161.59 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.48 ' HB2' HD21 ' A' ' 91' ' ' LEU . 11.8 m -145.19 119.8 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.84 159.32 32.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.82 118.7 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.09 155.36 21.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.766 ' HA ' HD23 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.99 172.58 16.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.2 p -61.1 114.06 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.7 p -41.24 -32.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t 62.6 153.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.01 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -142.48 -58.68 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.05 -85.88 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.41 153.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.92 155.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.55 97.84 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -105.11 148.75 26.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 0.742 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.02 138.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.02 164.91 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.599 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.61 78.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -137.04 75.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -136.23 110.26 8.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -58.5 119.63 37.87 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.606 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.28 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -101.85 151.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.74 127.24 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 93.5 m95 -112.89 109.39 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.97 148.74 64.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.481 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 157.75 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 p -72.39 178.85 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.937 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -50.86 23.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -68.72 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 -18.31 4.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.97 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -105.58 163.57 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.67 107.53 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 6.4 mm -81.22 117.27 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.571 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.3 133.37 11.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 2.3 mtt180 -118.74 129.92 55.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.837 HG21 HD11 ' A' ' 84' ' ' LEU . 3.0 mp -125.84 111.57 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -107.05 137.79 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 mm? -120.68 145.4 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -132.77 108.15 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.25 -1.17 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -57.21 125.55 23.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -52.45 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -75.76 -16.39 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -101.57 28.98 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.41 70.61 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 p -172.43 124.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 117' ' ' PRO . 74.8 t -80.76 137.56 50.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.06 170.38 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.4 -43.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -162.88 104.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -72.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.02 63.86 0.41 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.833 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -57.07 -39.5 75.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -91.65 5.04 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? 67.15 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.89 41.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.915 HD23 ' HB1' ' A' ' 78' ' ' ALA . 1.9 pp -157.63 174.18 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.632 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.73 131.73 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.719 HG23 ' CD1' ' A' ' 52' ' ' LEU . 97.6 t -121.42 135.31 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.545 HG23 HG21 ' A' ' 70' ' ' THR . 4.4 t -112.04 112.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -106.39 160.08 14.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 101.92 5.44 50.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 122.29 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.55 117.25 16.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.507 ' CG2' ' SG ' ' A' ' 66' ' ' CYS . 5.2 p -83.09 -172.1 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -88.22 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.24 10.81 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.39 71.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -120.47 171.79 8.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.344 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 102' ' ' THR . 32.3 mt -105.98 153.79 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.597 ' SG ' ' CE2' ' A' ' 68' ' ' PHE . 7.4 p -149.82 166.32 29.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -126.7 126.08 42.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.597 ' CE2' ' SG ' ' A' ' 66' ' ' CYS . 51.3 m-85 -123.39 148.9 45.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.9 HG22 ' HA ' ' A' ' 86' ' ' PRO . 96.0 mt -72.53 135.08 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.545 HG21 HG23 ' A' ' 55' ' ' VAL . 29.0 p -107.78 -43.07 4.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.73 149.07 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.562 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -142.88 113.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -53.3 133.75 39.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 105.57 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.78 21.76 4.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.506 ' N ' HG23 ' A' ' 80' ' ' THR . 75.0 m -116.99 171.91 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.9 mm? -44.32 -61.91 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.915 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -74.98 60.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 177.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.601 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.8 p -79.7 -37.31 35.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.584 ' CG2' HD12 ' A' ' 33' ' ' LEU . 5.6 m -109.99 -40.4 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.91 -38.15 20.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 80' ' ' THR . 73.1 m-70 56.16 41.59 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.58 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 31' ' ' ILE . 1.3 mt -76.51 -177.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HA ' HG11 ' A' ' 72' ' ' VAL . 6.8 mtt180 -153.14 151.32 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.9 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.96 98.68 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.98 -20.59 0.87 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -64.59 178.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 51.4 tt0 -130.18 101.5 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 98' ' ' LEU . 2.6 p -75.32 101.44 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 124' ' ' SER . 49.4 mt -62.44 -59.38 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.555 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 11.1 t-105 -139.91 93.26 2.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 120' ' ' GLU . 3.7 t-20 75.9 21.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.2 -12.92 44.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -87.29 112.61 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 132.81 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.523 HD12 HG13 ' A' ' 90' ' ' VAL . 28.3 mt -95.54 -24.0 16.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.0 116.2 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 98.33 -30.48 9.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.26 142.87 58.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.7 ' HA ' HD13 ' A' ' 65' ' ' LEU . 3.0 p -81.89 166.95 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -42.04 -51.05 4.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.33 -58.07 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.91 -46.6 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' A' ' 56' ' ' GLY . 24.5 t -59.77 -43.43 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -69.44 -58.12 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.0 m120 -40.87 -33.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 93' ' ' TRP . 61.6 mt -64.89 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -55.1 -38.37 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.6 tm? -70.19 -35.32 73.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -71.74 -23.58 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.5 p -96.71 24.66 5.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.833 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.91 -51.35 38.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.03 -25.93 11.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.8 OUTLIER -38.81 139.89 0.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.758 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 -29.33 8.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.527 ' HB2' HD21 ' A' ' 32' ' ' LEU . 3.5 pt20 -141.07 177.17 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.437 HG11 ' CZ2' ' A' ' 93' ' ' TRP . 13.8 t -150.72 104.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.545 ' HB2' HD23 ' A' ' 32' ' ' LEU . 12.1 tt0 -94.07 106.46 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.45 163.64 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.8 t -147.55 100.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.4 p -105.17 163.45 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.729 ' HB3' HD11 ' A' ' 91' ' ' LEU . 8.4 t -148.21 114.23 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.11 27.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 p -82.19 123.07 28.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.29 -170.93 1.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.36 22.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.92 134.83 28.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 75.7 p -79.01 166.89 21.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.77 167.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.49 119.55 21.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -159.62 19.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -145.05 -58.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.14 148.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.58 174.54 35.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -161.15 125.41 3.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.6 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 p -113.07 154.81 25.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.77 96.03 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 m -109.43 74.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.79 78.29 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -98.88 -104.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 19.4 m-70 -97.31 142.86 25.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.98 -29.37 8.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.53 145.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -147.9 122.24 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 96.1 m95 -108.09 109.41 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.9 mp0 -131.86 147.36 65.64 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 158.41 42.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -72.14 -177.42 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -53.2 -49.35 66.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.19 -57.09 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -31.34 4.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -54.0 -26.37 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -106.42 149.12 27.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -116.65 116.04 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' GLN . 9.9 mm -96.21 118.11 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -112.07 124.2 6.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.54 108.94 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.796 HD13 HD21 ' A' ' 84' ' ' LEU . 4.2 mp -101.15 151.61 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.7 tm? -141.08 138.34 33.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.877 HD13 HD22 ' A' ' 50' ' ' LEU . 3.3 mt -132.55 145.14 50.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -116.82 166.97 11.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.4 mtpm? -134.35 -46.64 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 35' ' ' LYS . 31.0 mtt180 -34.47 114.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.28 -171.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -46.69 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -43.49 67.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.21 0.5 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -158.35 141.75 15.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 117' ' ' PRO . 97.9 t -82.47 132.67 51.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.21 2.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.49 -36.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.8 93.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.96 51.33 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.11 75.22 0.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -48.77 -42.08 34.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -59.32 -14.11 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD22 HD13 ' A' ' 33' ' ' LEU . 1.3 mp 69.37 -61.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 152.89 47.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -157.08 162.06 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.81 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -123.74 146.84 48.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.705 ' CG2' HD11 ' A' ' 52' ' ' LEU . 42.8 t -136.88 143.69 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -123.75 112.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.42 -175.44 29.96 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 16.71 61.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -74.83 118.51 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.741 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.1 tpt -81.36 112.64 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.2 p -79.06 -160.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.3 -0.13 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.32 11.49 20.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.92 14.19 70.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -96.89 160.97 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.741 HD21 ' SD ' ' A' ' 59' ' ' MET . 40.8 mt -115.12 136.46 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -152.95 147.8 26.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 108.352 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.512 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -90.1 150.1 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 80.5 m-85 -143.43 146.23 33.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 86' ' ' PRO . 91.3 mt -72.41 131.95 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.455 HG21 ' CG2' ' A' ' 55' ' ' VAL . 48.1 p -105.05 -42.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -149.87 152.86 35.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 59.3 t -130.3 132.98 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -64.96 126.2 27.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 106.84 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.63 49.43 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -141.05 -177.01 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 109.985 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.5 mm? -51.84 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.674 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.67 67.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.2 t70 177.16 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 76' ' ' SER . 70.8 p -83.6 -41.54 17.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.613 HG23 ' CD2' ' A' ' 33' ' ' LEU . 11.8 m -102.53 -37.24 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.1 -42.13 12.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 67.64 14.38 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.537 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.796 HD21 HD13 ' A' ' 31' ' ' ILE . 4.4 mt -58.76 171.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.28 156.4 31.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.758 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.59 -33.43 0.63 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.512 ' HB3' HG11 ' A' ' 123' ' ' VAL . 1.1 m-20 -60.37 -179.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 35.8 tt0 -136.8 101.36 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.487 HG13 HD12 ' A' ' 98' ' ' LEU . 7.7 p -71.71 121.47 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.27 -55.6 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 27.4 mt-10 -114.15 156.93 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.654 ' CE3' ' CD2' ' A' ' 121' ' ' LEU . 24.3 t-105 -137.77 97.12 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.78 24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.38 -13.58 56.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 2.8 mmt-85 -83.77 117.81 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 133.39 45.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.489 ' CD2' HD13 ' A' ' 109' ' ' ILE . 27.9 mt -99.39 -22.28 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -55.41 120.11 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.16 -31.27 6.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.78 148.37 25.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -87.31 172.06 10.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.43 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -48.65 -44.02 37.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' TYR . 2.1 mt-10 -65.96 -62.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.58 -56.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' A' ' 109' ' ' ILE . 70.5 t -50.05 -45.95 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLU . 1.6 t80 -64.04 -57.01 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -42.7 -48.38 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 106' ' ' VAL . 55.9 mt -48.34 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.52 HG12 ' CE2' ' A' ' 93' ' ' TRP . 5.5 mt -41.83 -28.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' A' ' 111' ' ' LEU . 0.8 OUTLIER -71.57 -63.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.01 -25.51 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -91.91 25.61 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.054 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 1.9 mtpt -71.31 -49.92 11.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -21.04 16.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -41.4 135.53 1.91 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.02 -28.53 9.05 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 6.9 pt20 -132.54 173.08 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.737 HG21 HD21 ' A' ' 50' ' ' LEU . 3.1 t -145.25 103.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -96.42 121.17 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.654 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 9.5 mt -107.14 164.96 11.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -147.82 105.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -107.39 146.11 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -130.61 106.01 8.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -109.24 150.15 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.8 p -86.13 120.83 27.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.94 -164.94 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.65 7.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -74.0 -64.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.41 120.47 12.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.21 -59.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.74 168.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.86 119.36 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -171.06 127.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.55 117.57 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.69 -83.07 1.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -96.45 169.56 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.634 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.971 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 68.83 124.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.0 m 65.19 173.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.94 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 61.61 74.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -151.07 132.66 14.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.01 121.05 28.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.557 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.98 -39.71 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.655 HG13 HG13 ' A' ' 31' ' ' ILE . 21.1 t -106.5 133.41 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.92 123.0 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -111.11 109.32 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -136.3 151.06 72.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.579 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.93 158.8 42.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -173.93 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.59 51.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.45 -64.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.2 -41.21 1.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -50.91 -30.6 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -97.69 149.17 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.579 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -115.74 123.57 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.5 mm -104.7 105.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.01 126.2 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.71 112.76 25.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.722 HD13 HD21 ' A' ' 84' ' ' LEU . 3.5 mp -110.35 146.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -141.82 135.53 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD13 HD12 ' A' ' 50' ' ' LEU . 2.8 mt -124.59 142.34 51.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -131.16 141.26 50.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -33.86 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.5 112.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 43' ' ' PRO . 5.9 mt -64.92 -176.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -34.26 49.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.94 -37.51 61.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 36' ' ' ARG . . . 88.58 50.42 3.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' VAL . 3.9 m -130.67 7.09 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' A' ' 36' ' ' ARG . 3.5 t 61.12 132.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.96 -169.14 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' PRO . 19.3 mtm-85 -38.41 -40.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.89 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.25 44.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.9 98.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.841 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.38 -38.74 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.27 18.88 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.733 HD12 HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER 69.28 -60.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 173.35 -32.48 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.577 1.173 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.048 HD13 HG23 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -96.54 171.88 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.686 ' N ' HD12 ' A' ' 52' ' ' LEU . 1.3 tttt -119.19 126.25 51.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 52' ' ' LEU . 58.6 t -109.28 146.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.9 t -131.2 112.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.45 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.43 -171.44 32.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 11.63 43.05 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.54 120.46 17.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -85.65 109.99 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -75.37 -166.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.13 -11.68 40.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.38 -6.67 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 7.49 73.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -96.18 158.32 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 59' ' ' MET . 27.9 mt -110.74 143.12 41.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.72 152.47 17.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -93.58 134.31 36.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 81.8 m-85 -125.04 147.35 49.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.048 HG23 HD13 ' A' ' 52' ' ' LEU . 59.3 mt -69.81 132.61 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.48 HG21 ' CG2' ' A' ' 55' ' ' VAL . 30.8 p -103.78 -48.32 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.81 153.46 38.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.063 HG12 ' OD2' ' A' ' 79' ' ' ASP . 13.2 t -130.44 107.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.4 tptt -54.93 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.56 106.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.56 17.21 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -116.33 -176.47 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 33' ' ' LEU . 6.0 mt -54.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -70.44 57.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 1.063 ' OD2' HG12 ' A' ' 72' ' ' VAL . 2.5 m-20 -162.3 -64.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 p -84.87 -23.07 29.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 t -106.42 -39.35 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.74 -47.78 5.78 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.2 m80 76.86 14.4 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.722 HD21 HD13 ' A' ' 31' ' ' ILE . 1.6 mt -64.76 176.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 156.39 32.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.662 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.97 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.12 -14.6 2.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.599 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -78.35 164.4 24.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 41.7 tt0 -115.34 112.47 22.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HE3' ' A' ' 93' ' ' TRP . 20.9 t -77.68 98.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -63.75 -59.26 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.58 169.45 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.623 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 7.8 t-105 -150.73 92.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.6 t-20 78.75 15.89 1.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.18 -7.49 47.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.48 117.58 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.61 127.35 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.764 ' CD2' HD13 ' A' ' 109' ' ' ILE . 17.7 mt -95.36 -15.91 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.71 115.91 5.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.7 -19.18 52.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -66.48 142.58 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 p -81.61 168.81 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -44.55 -47.84 10.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.86 -58.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 21.6 mt-10 -38.79 -52.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.686 ' HA ' HD12 ' A' ' 109' ' ' ILE . 81.4 t -57.7 -51.93 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.1 t80 -58.72 -47.16 85.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 112' ' ' GLU . 28.0 m-80 -48.94 -41.51 34.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.764 HD13 ' CD2' ' A' ' 98' ' ' LEU . 15.1 mt -58.97 -71.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -47.44 -41.47 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.623 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.5 tm? -65.29 -33.97 77.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.9 mm-40 -77.67 -24.55 49.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -97.61 23.64 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.841 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -71.53 -54.21 6.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.05 -17.16 19.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 142.86 20.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.2 4.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.777 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' C ' ' CG2' ' A' ' 119' ' ' VAL . 3.8 pt20 -137.3 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.648 HG12 ' CD1' ' A' ' 121' ' ' LEU . 8.1 t -151.5 117.11 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -98.97 103.71 15.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.648 ' CD1' HG12 ' A' ' 119' ' ' VAL . 2.8 mp -88.06 162.19 16.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' LEU . 42.9 t -148.33 112.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -109.54 163.7 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 27.9 t -150.46 109.18 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 163.14 14.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.9 t -94.79 136.79 34.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -98.5 -162.6 30.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.17 13.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -162.05 -59.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 t -115.43 162.03 17.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -113.08 172.31 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.07 160.37 14.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.0 -130.54 7.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 63.66 127.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.14 170.62 18.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.952 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.75 87.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -174.57 172.03 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 109.591 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.8 p -40.77 142.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -100.22 68.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.47 81.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.4 76.65 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.72 111.13 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -43.24 148.59 0.61 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.633 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -20.42 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 17' ' ' THR . 23.7 t -110.97 140.26 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -153.34 126.38 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 94.8 m95 -120.74 108.89 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 52.7 mm-40 -136.27 151.12 72.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 158.11 42.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -75.95 -177.31 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -49.46 -52.81 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.47 -66.99 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.09 -21.2 4.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.5 -6.94 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -122.8 147.42 46.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -113.37 135.92 53.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -112.91 100.84 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -93.73 126.42 8.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.83 117.26 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.788 HD13 HD21 ' A' ' 84' ' ' LEU . 4.3 mp -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.0 tm? -140.34 142.68 35.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.847 HD13 HD12 ' A' ' 50' ' ' LEU . 5.0 mt -136.95 145.04 43.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -140.84 141.59 34.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -111.07 -22.77 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' LYS . 75.4 mtm180 -38.34 104.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 43' ' ' PRO . 6.4 mt -57.84 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.2 74.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.66 50.39 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 4.8 m -133.54 8.91 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG21 ' HA ' ' A' ' 117' ' ' PRO . 3.9 t 61.42 134.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.5 Cg_endo -75.0 -177.34 3.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.59 -46.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.71 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t 65.43 74.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.76 95.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.674 ' HB1' ' HD3' ' A' ' 114' ' ' LYS . . . -56.4 -38.41 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -86.74 16.72 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.953 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.847 HD12 HD13 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 69.32 -60.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 169.67 -30.47 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.951 HD13 HG23 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -96.65 163.14 13.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.855 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.52 131.44 55.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.599 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 59.4 t -115.19 145.94 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -130.03 112.88 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.59 -177.88 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.21 10.64 62.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.3 ttpt -69.6 118.89 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.616 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.1 tpt -81.47 110.6 17.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 80.8 p -77.35 -172.73 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.37 -20.03 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.23 12.66 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.88 21.67 71.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 155.77 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.616 HD21 ' SD ' ' A' ' 59' ' ' MET . 32.1 mt -114.3 135.83 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -159.83 152.73 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -91.66 132.01 36.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 68.2 m-85 -126.46 138.31 53.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.951 HG23 HD13 ' A' ' 52' ' ' LEU . 68.9 mt -62.75 130.66 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.8 p -104.44 -40.94 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.04 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 14.8 t -141.45 113.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -56.54 113.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -68.97 102.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.48 42.66 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 80' ' ' THR . 0.5 OUTLIER -140.24 171.42 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.0 mt -40.75 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.634 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.54 69.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.48 ' OD2' HG12 ' A' ' 72' ' ' VAL . 3.7 t0 176.21 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 76' ' ' SER . 43.2 p -82.8 -39.58 21.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 77' ' ' LEU . 15.4 m -103.32 -37.86 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -78.48 -44.24 11.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.0 m80 68.63 18.06 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 109.641 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.788 HD21 HD13 ' A' ' 31' ' ' ILE . 4.8 mt -62.49 171.44 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.35 153.94 31.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.97 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.65 -10.84 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -84.01 176.41 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.3 tt0 -128.59 113.9 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.524 HG13 HD12 ' A' ' 98' ' ' LEU . 2.6 p -81.23 98.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -61.43 -60.6 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.895 ' OE2' HD12 ' A' ' 97' ' ' LEU . 2.6 mp0 -115.6 171.79 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.451 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 9.3 t-105 -150.29 92.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 107.98 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 73.93 18.36 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.87 -7.47 41.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.435 ' CD ' HG12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -88.09 121.02 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.895 HD12 ' OE2' ' A' ' 92' ' ' GLU . 2.6 tp -74.82 126.1 30.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.642 ' CD2' HD13 ' A' ' 109' ' ' ILE . 36.2 mt -94.16 -17.36 22.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -60.77 119.34 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.01 7.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -58.61 143.31 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 p -81.22 171.13 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -47.76 -44.61 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.3 -59.44 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 15.2 mt-10 -39.89 -56.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.735 ' HA ' HD12 ' A' ' 109' ' ' ILE . 56.6 t -52.57 -50.3 40.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.38 -54.23 49.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -41.28 -50.75 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 106' ' ' VAL . 10.3 mt -47.98 -70.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.428 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.1 mt -40.48 -31.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.57 HD23 ' HG3' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -70.49 -62.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.79 -21.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -93.87 24.53 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.674 ' HD3' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -74.4 -49.77 5.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.06 -32.11 5.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 3.8 mt-10 -37.85 136.27 0.77 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.437 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.03 -33.02 4.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 2.6 pt20 -132.91 172.32 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.4 t -146.67 113.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -99.66 108.54 20.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.451 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 6.9 mt -91.53 162.46 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 91' ' ' LEU . 24.4 t -148.49 110.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -109.4 157.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 41.2 t -140.44 107.98 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 159.65 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.9 t -93.62 137.22 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -101.02 -171.52 28.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.07 16.18 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.5 t -165.08 81.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.2 m -81.03 -56.73 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t 51.42 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 p -161.71 147.26 13.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.29 -143.15 8.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.23 84.79 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -112.12 137.46 50.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.2 -134.35 3.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -174.41 91.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.602 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 t -172.64 156.59 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -122.23 149.86 43.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.558 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.15 75.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -123.98 77.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -130.6 114.99 16.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -52.54 147.25 15.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.625 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.02 -35.99 2.79 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 81' ' ' VAL . 11.7 t -99.74 139.07 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -153.16 120.49 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.9 m95 -108.2 108.22 19.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -131.68 150.73 77.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.02 157.49 42.65 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -68.16 -172.07 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -67.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.42 -27.73 3.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.23 -32.79 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -100.86 159.28 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -124.49 112.98 17.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' GLN . 26.1 mm -91.17 107.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -102.29 135.36 12.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -118.13 128.91 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.923 HD13 HD21 ' A' ' 84' ' ' LEU . 3.6 mp -123.49 109.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 15' ' ' PRO . 5.5 tp -107.45 117.46 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.68 ' CB ' HD12 ' A' ' 50' ' ' LEU . 1.5 mm? -99.99 141.0 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -132.0 111.08 11.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.73 20.06 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -75.25 124.2 26.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 41' ' ' SER . 60.8 mt -59.05 176.29 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -51.95 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -21.78 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.71 20.84 20.67 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.497 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.4 m -120.23 123.13 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.973 HG21 ' HA ' ' A' ' 117' ' ' PRO . 57.4 t -66.36 141.54 97.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.07 177.76 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -34.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 p30 169.97 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 t -85.18 0.67 51.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.8 77.52 0.25 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -52.98 -33.39 51.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.57 8.24 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.68 HD12 ' CB ' ' A' ' 33' ' ' LEU . 2.2 mm? 67.38 -69.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.07 41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB1' ' A' ' 78' ' ' ALA . 1.3 pp -157.51 170.07 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.647 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -123.52 134.76 53.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.726 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 92.2 t -124.71 141.46 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -119.56 112.67 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.38 33.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 64.2 10.79 43.04 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -69.4 118.96 12.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.601 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -84.38 109.51 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.4 p -76.16 -162.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.98 -0.91 57.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.91 8.52 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.27 11.25 75.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -94.5 155.57 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD21 ' SD ' ' A' ' 59' ' ' MET . 28.0 mt -113.01 141.14 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 3.0 t -153.97 171.22 19.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.726 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -115.44 126.49 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 32.9 m-85 -123.86 141.08 52.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.9 131.86 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.476 HG21 ' CG2' ' A' ' 55' ' ' VAL . 17.8 p -108.24 -21.59 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -163.88 143.69 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -143.16 107.12 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 9.7 tptt -53.63 92.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.19 108.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.83 11.61 2.87 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -113.57 -167.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 81' ' ' VAL . 9.2 mt -61.45 -67.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.812 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -71.32 58.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.52 ' OD2' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -171.99 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 76' ' ' SER . 68.3 p -79.86 -40.3 28.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.991 ' O ' HG21 ' A' ' 16' ' ' VAL . 10.7 m -101.51 -36.98 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -77.48 -42.19 18.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 64.73 38.5 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.923 HD21 HD13 ' A' ' 31' ' ' ILE . 2.6 mt -84.88 -179.93 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.647 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.2 mtp180 -159.4 157.41 26.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.549 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 85.96 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.06 -34.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.138 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.37 -179.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 40.6 tt0 -137.11 101.25 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 67' ' ' ALA . 2.9 p -72.16 115.25 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 124' ' ' SER . 51.2 mt -81.35 -57.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -115.21 162.73 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.73 ' CZ2' HG11 ' A' ' 119' ' ' VAL . 11.2 t-105 -141.67 95.27 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.11 16.74 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.87 -13.31 32.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -84.68 114.29 21.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 132.64 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.452 HD12 HG13 ' A' ' 90' ' ' VAL . 25.5 mt -97.21 -23.16 16.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -53.87 116.34 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.83 -33.07 5.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.78 142.84 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.7 p -81.31 172.51 13.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -52.49 -42.37 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -50.57 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -49.43 -61.09 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 109' ' ' ILE . 72.9 t -45.59 -49.69 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.69 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -43.42 -45.37 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 106' ' ' VAL . 73.0 mt -51.71 -75.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 93' ' ' TRP . 6.3 mt -41.57 -28.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.86 HD23 ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -69.51 -62.03 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.42 -20.03 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.7 p -104.81 26.18 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.86 ' HG3' HD23 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -70.47 -49.58 15.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -23.96 13.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.23 139.03 0.53 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.973 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.06 -29.32 8.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.432 ' C ' HG23 ' A' ' 119' ' ' VAL . 2.4 pt20 -138.39 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.73 HG11 ' CZ2' ' A' ' 93' ' ' TRP . 42.0 t -152.89 114.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -96.01 111.25 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.578 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 6.4 mt -95.36 163.36 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.2 t -148.06 104.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.02 144.11 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.473 ' HB2' HD11 ' A' ' 91' ' ' LEU . 28.9 t -125.06 111.16 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.66 158.54 24.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.1 p -79.98 127.85 32.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.69 -165.26 2.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.24 12.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.3 m -159.87 112.99 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.76 -58.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.84 -67.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -65.11 -58.74 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.8 -128.86 2.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m 60.07 94.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.53 159.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.93 -147.06 7.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.8 m170 61.15 109.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 0.749 . . . . 0.0 109.579 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.47 -56.82 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -42.02 150.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -143.39 79.44 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.35 76.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -137.59 86.7 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.4 m-70 -53.36 147.3 19.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.582 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.558 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.3 m -95.03 153.25 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -152.06 123.42 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.7 m95 -109.74 109.06 19.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -136.33 150.47 70.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.94 156.93 43.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -70.43 -176.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -51.48 54.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -67.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.97 -27.93 3.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -19.11 10.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 0.733 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -114.41 161.7 17.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -127.01 113.77 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 mm -92.22 114.89 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -104.54 138.05 13.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -125.33 126.34 44.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.699 HD13 HD21 ' A' ' 84' ' ' LEU . 3.4 mp -121.71 117.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.3 tm? -111.6 132.37 54.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 mm? -117.0 144.62 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -122.14 134.45 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -105.97 -44.88 4.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -38.48 115.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 43' ' ' PRO . 4.3 mt -55.68 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -41.57 90.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -44.36 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 50.53 0.28 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 m -155.53 139.35 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' A' ' 117' ' ' PRO . 76.5 t -77.41 128.75 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.93 -176.95 3.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.62 -41.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 48' ' ' ALA . 8.2 t70 178.38 93.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t -78.27 55.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 72.79 0.87 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.788 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.08 -38.98 54.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -88.44 10.78 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.4 mm? 69.78 -59.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 158.21 -22.89 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.918 HD13 HG23 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -96.2 167.01 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.731 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -118.51 119.62 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.76 HG22 HD11 ' A' ' 52' ' ' LEU . 45.1 t -103.34 146.55 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -134.96 112.89 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -103.03 -172.52 26.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.14 8.87 52.35 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -69.22 118.71 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.64 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.2 tpt -81.56 108.15 14.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.5 p -74.25 -174.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.98 -1.43 43.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.56 10.89 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 14.77 71.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 153.0 17.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.64 HD21 ' SD ' ' A' ' 59' ' ' MET . 24.2 mt -111.76 142.18 44.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.1 t -161.45 164.38 29.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -108.87 133.44 52.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 42.4 m-85 -129.85 143.64 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.918 HG23 HD13 ' A' ' 52' ' ' LEU . 57.0 mt -63.69 127.93 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 p -100.28 -47.23 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 145.63 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -138.33 111.13 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -54.48 150.03 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.0 102.96 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.25 32.13 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.524 ' N ' HG23 ' A' ' 80' ' ' THR . 58.4 p -125.63 163.21 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.6 mm? -40.59 -58.27 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.774 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -75.27 57.84 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.461 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 3.6 t70 177.96 -54.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 76' ' ' SER . 55.9 p -71.3 -35.24 71.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.558 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.9 m -115.84 -38.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.418 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -80.62 -32.21 34.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 94.7 m-70 48.29 39.24 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 52' ' ' LEU . 5.9 mt -70.52 -172.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' HG11 ' A' ' 72' ' ' VAL . 33.7 mmt-85 -157.98 149.57 16.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.651 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 94.53 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.62 -20.69 0.71 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.664 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.3 m-20 -60.43 -177.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 27.2 tt0 -137.01 102.02 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 98' ' ' LEU . 2.7 p -72.83 101.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 124' ' ' SER . 85.6 mt -66.87 -55.92 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -120.66 165.28 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.597 ' CD1' HG22 ' A' ' 109' ' ' ILE . 7.2 t-105 -144.14 103.99 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.638 ' OD1' HG13 ' A' ' 119' ' ' VAL . 9.0 m-20 62.43 15.77 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.98 -5.65 34.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -92.27 113.3 25.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.91 131.01 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 90' ' ' VAL . 23.5 mt -96.9 -21.97 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -57.89 114.01 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.83 -26.46 20.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.21 143.81 54.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -79.98 170.54 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -50.27 -43.51 53.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.38 -54.1 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -44.98 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.475 HG21 ' HA3' ' A' ' 56' ' ' GLY . 74.6 t -52.49 -45.89 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.58 -54.97 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -40.41 -47.66 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.597 HG22 ' CD1' ' A' ' 93' ' ' TRP . 5.2 mt -50.35 -75.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.578 HG12 ' CH2' ' A' ' 93' ' ' TRP . 3.2 mt -41.25 -28.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.799 HD23 ' HD2' ' A' ' 114' ' ' LYS . 0.4 OUTLIER -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' ILE . 2.7 mt-10 -66.12 -8.24 22.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.44 1.48 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.799 ' HD2' HD23 ' A' ' 111' ' ' LEU . 7.3 mttt -59.09 -49.66 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -33.49 4.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -40.27 135.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.03 -30.99 6.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.4 pt20 -131.11 172.66 11.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.638 HG13 ' OD1' ' A' ' 94' ' ' ASN . 13.2 t -148.64 107.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.7 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.2 mt -96.12 163.44 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 91' ' ' LEU . 21.2 t -147.66 102.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 88' ' ' ASP . 1.1 p -111.66 156.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.615 ' HB2' HD11 ' A' ' 91' ' ' LEU . 2.6 t -113.17 159.71 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.55 156.52 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.2 p -99.19 101.84 13.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.8 153.55 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 134.51 17.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.78 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.3 p -115.73 163.68 15.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.97 138.18 26.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -174.06 97.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 p -135.15 114.37 12.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.04 89.5 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -70.65 169.1 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.25 141.25 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.14 161.61 19.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.38 70.25 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.585 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.77 147.35 11.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.23 100.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.591 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.2 p -152.66 74.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -127.38 78.38 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.63 97.47 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 115.3 5.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -37.59 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 17' ' ' THR . 1.4 m -103.74 149.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -152.0 124.29 8.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.5 m95 -109.71 108.53 18.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -136.73 149.6 67.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 157.67 43.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.5 p -72.63 -177.06 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -50.11 -52.72 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -73.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.34 -32.53 2.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.8 -21.74 43.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -106.21 158.22 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -124.02 128.33 49.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.2 mm -106.61 112.33 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -105.16 134.17 11.92 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.52 130.0 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 84' ' ' LEU . 3.0 mp -126.72 114.61 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 33' ' ' LEU . 3.1 tm? -111.42 138.19 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.6 mm? -120.42 145.63 47.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -132.32 131.78 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -29.82 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -39.08 107.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 43' ' ' PRO . 6.1 mt -61.76 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.05 -39.63 75.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -35.74 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.66 52.51 3.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -133.76 8.29 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.3 t 61.52 135.0 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.661 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.05 170.06 21.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -48.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.39 79.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -50.87 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.75 89.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.84 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -53.12 -51.37 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.05 8.72 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER 69.75 -58.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 155.24 -21.23 0.56 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.797 HD21 HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -100.89 153.97 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.772 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -107.49 151.38 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.839 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 73.1 t -141.79 138.41 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.686 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.5 t -118.66 112.39 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.635 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.48 -175.56 32.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.81 18.18 59.14 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -77.75 117.87 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.634 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.3 tpt -80.77 110.11 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 64' ' ' ARG . 69.7 p -78.48 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.437 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.51 -31.18 37.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.56 21.48 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.43 ' O ' ' CE ' ' A' ' 59' ' ' MET . . . 59.73 18.93 47.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 60' ' ' THR . 3.2 mmt180 -90.45 152.78 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 0.77 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD21 ' SD ' ' A' ' 59' ' ' MET . 26.9 mt -112.39 136.65 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -155.68 154.3 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.839 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -99.98 122.13 42.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 50.3 m-85 -117.66 143.86 45.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.836 HG22 ' HA ' ' A' ' 86' ' ' PRO . 88.7 mt -64.4 131.44 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.686 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.3 p -104.52 -40.0 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.49 142.34 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.542 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p -136.3 113.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.08 142.22 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.38 105.69 17.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.51 23.29 4.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 80' ' ' THR . 0.4 OUTLIER -116.01 166.69 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.3 mt -43.37 -64.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.849 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -73.17 58.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' OD1' HG22 ' A' ' 72' ' ' VAL . 9.7 t70 -179.46 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 36.4 p -84.95 -40.22 17.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 33' ' ' LEU . 5.4 m -104.97 -39.69 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.11 -36.37 27.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 59.33 42.67 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.613 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 31' ' ' ILE . 7.0 mt -80.37 176.54 9.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.1 mtt85 -151.59 154.03 32.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.836 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.98 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.84 -18.24 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.661 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.8 m-20 -68.11 175.68 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 40.3 tt0 -129.36 103.12 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.746 HG13 HD12 ' A' ' 98' ' ' LEU . 4.9 p -73.3 100.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.844 HD11 ' CB ' ' A' ' 124' ' ' SER . 88.4 mt -64.61 -56.24 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.68 168.13 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 16.2 t-105 -145.93 93.49 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.2 t-20 77.0 20.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.0 52.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -87.34 112.48 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.94 131.4 46.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.746 HD12 HG13 ' A' ' 90' ' ' VAL . 23.7 mt -95.78 -22.66 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -54.88 116.08 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.52 -29.83 7.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.96 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -76.4 170.8 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -50.59 -42.77 56.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.57 -51.72 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.62 -49.03 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.635 HG21 ' HA3' ' A' ' 56' ' ' GLY . 70.1 t -58.41 -46.66 89.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -64.87 -55.07 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 112' ' ' GLU . 60.5 m-20 -43.12 -40.62 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 106' ' ' VAL . 41.8 mt -57.19 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.543 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -46.23 -45.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.572 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.7 tm? -60.67 -35.77 77.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.5 mm-40 -77.02 -35.1 57.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -92.4 25.17 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.84 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 5.9 mtpt -71.24 -51.44 10.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.1 Cg_endo -75.01 -21.21 16.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 1.1 mm-40 -42.38 142.31 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -31.54 6.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 7.0 pt20 -139.93 158.9 43.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.472 HG11 ' CE2' ' A' ' 93' ' ' TRP . 21.9 t -138.23 112.54 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.447 ' HB2' HD23 ' A' ' 32' ' ' LEU . 8.1 tt0 -96.79 106.05 18.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.64 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 5.1 mt -86.6 161.51 18.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 91' ' ' LEU . 26.3 t -147.66 103.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 88' ' ' ASP . 1.5 p -108.78 158.71 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.844 ' CB ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -124.2 130.54 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.1 161.0 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.8 p -106.65 115.19 29.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -98.7 -163.88 30.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.96 36.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.3 p -145.23 85.41 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.6 p -52.1 152.24 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 p -156.95 127.71 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.787 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.4 p -49.61 137.56 15.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.41 -65.48 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -87.78 81.82 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -79.58 93.54 5.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.39 123.81 7.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -98.06 128.9 44.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.611 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t 67.75 -70.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER 66.35 177.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.562 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.2 p 42.02 69.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.16 76.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.86 -108.2 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -43.74 117.69 2.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.613 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -34.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.2 m -107.61 143.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.83 126.09 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.592 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 89.0 m95 -114.11 109.37 18.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.9 mp0 -136.48 150.59 70.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 157.6 42.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 174.27 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -55.25 4.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.2 -56.08 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.1 -36.55 3.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.36 -34.65 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -95.86 151.02 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.66 115.02 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' GLN . 11.9 mm -90.14 117.7 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.4 139.94 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' C ' HD12 ' A' ' 31' ' ' ILE . 2.0 ttm-85 -121.38 139.91 52.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.901 HG21 HD11 ' A' ' 84' ' ' LEU . 2.9 mp -137.64 111.26 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -114.07 137.19 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.841 HD23 HD22 ' A' ' 50' ' ' LEU . 2.1 mm? -124.12 145.97 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -121.3 145.0 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.804 ' HB2' HG22 ' A' ' 42' ' ' VAL . 63.3 mttt -112.04 -48.66 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 56.3 mtt180 -35.78 114.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 43' ' ' PRO . 2.8 mt -63.91 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -37.5 77.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.09 -43.63 98.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.72 54.61 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -163.85 121.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.804 HG22 ' HB2' ' A' ' 35' ' ' LYS . 90.9 t -54.61 132.55 64.28 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -36.69 -45.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' A' ' 48' ' ' ALA . 6.9 t0 176.75 83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.75 67.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 53.68 69.55 1.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.794 ' HB1' ' HG3' ' A' ' 114' ' ' LYS . . . -46.74 -53.66 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.6 -16.94 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.841 HD22 HD23 ' A' ' 33' ' ' LEU . 1.7 mp 72.72 2.93 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.36 38.87 16.61 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -152.99 154.37 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.921 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.58 150.94 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 52' ' ' LEU . 99.1 t -141.39 138.03 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.66 112.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.467 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.19 -168.97 28.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 56.36 16.32 14.58 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.21 126.53 30.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.28 116.22 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.2 p -86.02 -173.54 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -82.51 -10.4 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -101.67 8.91 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 21.19 76.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -108.43 167.79 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD22 ' C ' ' A' ' 57' ' ' GLY . 28.2 mt -107.64 138.89 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.3 m -154.32 143.93 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.54 155.59 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -152.74 143.21 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.809 HG22 ' HA ' ' A' ' 86' ' ' PRO . 98.1 mt -70.45 124.43 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 p -95.71 -47.93 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 148.85 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -144.21 118.07 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -53.99 131.86 41.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -84.22 105.04 14.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.31 20.55 5.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 80' ' ' THR . 1.5 m -115.08 166.7 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.537 HD23 HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -39.14 -66.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.828 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.1 59.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.412 ' OD1' HG22 ' A' ' 72' ' ' VAL . 6.7 t70 177.92 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 22.3 p -85.7 -50.72 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 77' ' ' LEU . 8.8 m -95.98 -36.5 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.32 -43.62 9.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 80' ' ' THR . 99.0 m-70 66.46 45.64 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.901 HD11 HG21 ' A' ' 31' ' ' ILE . 3.6 mt -85.2 174.96 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -153.13 150.99 25.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.809 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.96 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.06 -24.44 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.49 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 1.2 m-20 -64.81 -176.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 40.4 tt0 -136.88 105.96 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.41 HG11 ' HE3' ' A' ' 93' ' ' TRP . 37.4 t -71.19 107.13 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 122' ' ' VAL . 66.5 mt -71.77 -59.27 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.12 165.5 13.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.867 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 13.6 t-105 -147.81 92.32 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' GLU . 2.1 t-20 71.72 35.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.49 -7.45 81.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -92.94 114.31 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.01 131.59 43.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.609 ' CD2' HD13 ' A' ' 109' ' ' ILE . 15.3 mt -95.55 -22.84 17.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.47 114.18 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.6 -28.27 12.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.76 143.96 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.3 p -78.61 171.42 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -55.06 -41.04 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.49 -43.19 73.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.5 -59.21 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 109' ' ' ILE . 39.8 t -45.81 -40.93 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.2 t80 -72.22 -53.02 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 112' ' ' GLU . 73.7 m-20 -45.39 -32.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.609 HD13 ' CD2' ' A' ' 98' ' ' LEU . 50.9 mt -67.73 -68.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.6 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.0 mt -49.18 -33.86 6.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.421 ' O ' HD22 ' A' ' 111' ' ' LEU . 2.4 tm? -77.18 -35.92 55.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.4 mm-40 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 m -104.26 25.04 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.794 ' HG3' ' HB1' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -74.45 -48.68 5.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -25.4 11.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.59 150.62 0.52 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.592 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.04 -38.28 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.553 ' HB2' HD21 ' A' ' 32' ' ' LEU . 4.7 pt20 -133.73 159.65 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.779 ' HB ' HD21 ' A' ' 50' ' ' LEU . 58.1 t -130.54 111.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.585 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -94.96 127.48 41.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.867 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 3.1 mp -118.18 162.04 18.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.7 t -147.62 119.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -116.65 144.71 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -126.06 111.98 15.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -114.95 159.76 20.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.5 p -89.78 111.75 22.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.74 -166.87 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 1.52 7.69 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.2 m 64.52 138.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.2 t -88.1 116.99 26.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p -156.02 167.31 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.989 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.47 99.11 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.85 -84.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.55 -69.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.91 108.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.11 114.18 3.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.8 151.74 18.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.592 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t 72.03 -70.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 51.57 87.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.636 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -114.57 72.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -124.73 76.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -138.12 111.03 7.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -51.25 117.35 8.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.49 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 -31.12 6.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m -108.27 146.54 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.58 125.46 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.431 ' CH2' HG21 ' A' ' 123' ' ' VAL . 95.1 m95 -112.48 109.42 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -135.45 150.22 71.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.05 157.5 42.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -70.7 -179.64 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -44.04 66.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -68.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.19 -21.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -23.02 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -111.68 152.2 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -116.28 113.07 22.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 mm -95.11 119.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.26 131.34 9.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 6.3 mtp180 -118.26 112.78 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.747 . . . . 0.0 110.345 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.864 HD13 HD21 ' A' ' 84' ' ' LEU . 1.7 mp -103.95 156.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.0 tm? -141.57 142.69 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.605 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.5 mt -133.63 141.41 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -122.18 142.89 49.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HB2' HG21 ' A' ' 42' ' ' VAL . 2.5 mtpm? -111.69 -27.66 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' HA ' ' N ' ' A' ' 42' ' ' VAL . 62.8 mtm180 -48.75 115.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 41' ' ' SER . 1.7 mt -52.43 -174.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.86 83.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -49.85 62.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.44 42.24 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.492 ' O ' HD12 ' A' ' 37' ' ' LEU . 3.5 m -173.51 136.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 109.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.4 p -87.63 143.72 34.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.04 164.18 33.79 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -37.39 -49.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.41 121.14 12.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -126.35 -71.77 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.35 68.42 0.53 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB1' ' HG3' ' A' ' 114' ' ' LYS . . . -56.04 -51.58 67.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.26 -0.42 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.2 mm? 68.74 -60.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 160.12 -23.33 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -95.96 164.63 12.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.88 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.48 121.6 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.799 HG22 HD11 ' A' ' 52' ' ' LEU . 44.7 t -107.66 149.89 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.418 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.7 t -133.89 112.47 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -100.64 -170.51 29.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.3 12.26 37.63 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.4 ttpt -72.19 119.51 16.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.65 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -83.51 114.51 21.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.4 p -82.34 -167.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -83.31 -13.93 54.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.22 14.19 30.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.42 16.99 61.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -96.16 160.71 14.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.65 HD21 ' SD ' ' A' ' 59' ' ' MET . 35.9 mt -115.38 140.12 49.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -157.22 160.88 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -106.81 124.61 49.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 22.3 m-85 -121.47 142.61 49.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 86' ' ' PRO . 68.5 mt -62.72 139.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.418 HG21 ' CG2' ' A' ' 55' ' ' VAL . 37.0 p -112.19 -46.36 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.77 143.88 23.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.566 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -135.85 111.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -54.35 145.96 16.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 104.52 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.25 26.8 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 80' ' ' THR . 56.1 p -123.74 170.84 10.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.605 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.4 mm? -41.07 -69.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.613 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -68.82 61.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . 7.6 t70 -178.93 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 83' ' ' HIS . 60.9 p -73.03 -28.89 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.376 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 77' ' ' LEU . 15.3 m -117.45 -40.0 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.51 -35.63 22.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.445 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.6 m-70 50.61 32.54 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.591 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.864 HD21 HD13 ' A' ' 31' ' ' ILE . 3.0 mt -67.23 -170.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HA ' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -158.47 149.86 16.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.775 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 93.5 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -25.43 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -60.68 -179.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.5 tt0 -137.09 102.36 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 98' ' ' LEU . 4.3 p -74.65 113.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.565 HD11 ' CB ' ' A' ' 124' ' ' SER . 73.6 mt -79.87 -56.89 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 12.7 mt-10 -114.59 163.79 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.696 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 29.1 t-105 -140.55 92.9 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 74.01 12.01 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.12 -15.63 13.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -81.6 116.01 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.92 132.17 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.538 HD13 HG13 ' A' ' 106' ' ' VAL . 21.1 mt -99.49 -21.43 15.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 91' ' ' LEU . 6.5 mt-30 -57.94 112.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.46 -35.18 4.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -52.07 151.0 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.4 p -86.34 173.78 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -53.83 -50.0 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.91 -47.65 84.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.515 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 4.3 mt-10 -50.99 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.664 ' HA ' HD12 ' A' ' 109' ' ' ILE . 89.9 t -42.8 -51.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -58.85 -61.24 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -42.16 -48.97 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 106' ' ' VAL . 43.9 mt -47.72 -62.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.552 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.6 mt -51.06 -36.2 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.537 HD12 ' HD3' ' A' ' 114' ' ' LYS . 3.4 tp -67.85 -27.23 66.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.7 mt-10 -81.28 -12.49 59.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.08 11.21 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.645 ' HG3' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -64.47 -50.92 63.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -22.66 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 3.7 mt-10 -55.67 138.88 69.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.501 ' HA ' HG11 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.95 -35.91 2.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 111.049 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 3.7 pt20 -132.84 167.34 20.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.625 HG12 ' CD1' ' A' ' 121' ' ' LEU . 55.9 t -141.86 118.74 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -101.16 109.7 21.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.696 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 6.8 mp -92.67 165.42 12.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.19 109.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.431 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.53 153.97 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.565 ' CB ' HD11 ' A' ' 91' ' ' LEU . 12.0 t -143.28 114.6 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 157.19 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p -78.46 126.22 30.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.82 -168.35 0.87 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.49 7.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 t -51.51 -52.24 48.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.7 m -84.74 123.53 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.558 1.161 . . . . 0.0 110.994 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.45 130.21 23.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.967 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -61.51 104.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.26 -84.27 0.21 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.79 114.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.976 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.83 113.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.24 124.49 1.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -105.16 156.05 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.783 . . . . 0.0 109.59 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 0.4 OUTLIER 177.22 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.957 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 9' ' ' SER . 20.3 m80 -159.84 140.92 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 m 65.25 66.51 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.96 79.75 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -117.39 76.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -43.04 149.38 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.0 -33.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.596 HG21 ' O ' ' A' ' 81' ' ' VAL . 23.7 t -102.45 138.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.74 129.47 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 87.0 m95 -118.7 108.91 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -134.78 152.38 77.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.97 157.63 42.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -72.05 -176.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.8 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.05 -70.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.67 -36.9 1.84 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.44 -23.6 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -106.12 150.85 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.97 119.48 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.56 115.02 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.559 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -108.66 138.7 14.85 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.097 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -123.37 123.46 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.587 HD13 HD21 ' A' ' 84' ' ' LEU . 4.1 mp -117.64 114.6 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 33' ' ' LEU . 3.0 tm? -111.78 136.18 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.638 ' CG ' HD12 ' A' ' 50' ' ' LEU . 2.6 mm? -120.06 145.83 46.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.59 127.57 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -31.85 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -38.22 111.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 43' ' ' PRO . 3.1 mt -63.93 -170.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -38.33 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -34.29 61.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.11 52.79 3.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -130.46 6.74 4.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 8.1 t 61.26 133.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.02 173.99 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -44.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 85.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.02 88.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.09 88.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.982 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.34 -49.39 61.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.52 15.94 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD12 ' CG ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 69.32 -60.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 166.71 -29.22 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -98.29 165.97 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.664 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -111.21 143.5 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.579 ' CG2' HD21 ' A' ' 52' ' ' LEU . 88.8 t -128.21 142.44 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.44 114.02 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.826 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -99.03 -166.31 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.59 18.44 10.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -73.22 122.52 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.47 110.74 13.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.4 p -76.93 -169.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -84.86 -11.12 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.55 16.85 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.1 32.86 85.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.5 mtt-85 -111.0 164.01 13.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -112.8 139.52 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -161.82 156.8 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.34 147.16 27.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 43.4 m-85 -144.25 145.77 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.747 HG22 ' HA ' ' A' ' 86' ' ' PRO . 97.0 mt -69.59 124.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -93.1 -48.77 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -148.5 154.38 39.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 29.8 t -126.85 135.55 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -72.85 119.23 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 103.43 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.65 41.16 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.53 166.65 22.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 81' ' ' VAL . 8.0 mt -40.62 -64.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.904 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.52 61.68 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t0 176.4 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.6 p -82.84 -39.72 21.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.596 ' O ' HG21 ' A' ' 16' ' ' VAL . 12.1 m -108.42 -39.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.14 -37.05 22.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 62.44 15.8 8.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.558 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.904 HD12 ' HB1' ' A' ' 78' ' ' ALA . 17.4 mt -49.99 167.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -149.62 152.39 34.89 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.747 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.06 2.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.559 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.5 m-20 -80.64 155.16 26.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 48.9 tt0 -107.96 104.21 13.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 98' ' ' LEU . 3.2 p -70.73 95.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 122' ' ' VAL . 16.3 mt -56.83 -59.78 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 38.0 mt-10 -119.11 166.24 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.579 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 12.2 t-105 -142.55 92.52 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 5.0 t-20 78.75 -2.47 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.12 -15.73 5.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.963 ' HB3' HD13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -78.55 126.25 30.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 tp -78.46 119.71 22.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.796 HD12 HG13 ' A' ' 90' ' ' VAL . 10.0 mt -86.52 -14.62 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.546 ' NE2' HD22 ' A' ' 91' ' ' LEU . 67.6 mt-30 -64.41 112.13 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.83 -20.91 32.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -55.89 151.99 10.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -94.97 157.34 15.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -40.23 -46.76 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.8 -50.05 75.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.586 ' OE2' HD11 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -50.45 -66.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.826 HG21 ' HA3' ' A' ' 56' ' ' GLY . 59.1 t -40.22 -54.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.04 -60.63 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' GLU . 24.5 m-20 -46.83 -54.41 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.963 HD13 ' HB3' ' A' ' 96' ' ' ARG . 92.8 mt -42.87 -64.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.8 mt -50.78 -36.12 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.647 HD12 ' HD3' ' A' ' 114' ' ' LYS . 5.5 tp -70.0 -28.98 65.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.7 mm-40 -76.69 -20.4 56.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 15.62 25.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.982 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 7.1 mtpt -67.28 -51.9 32.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.5 Cg_endo -74.99 -30.11 7.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 142.99 0.58 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.8 11.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 7.6 pt20 -140.63 167.0 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.514 ' HB ' HD11 ' A' ' 50' ' ' LEU . 15.5 t -144.24 111.2 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 94' ' ' ASN . 5.6 tt0 -96.12 108.11 20.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.579 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 4.0 mt -90.81 163.19 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.1 t -147.99 104.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 88' ' ' ASP . 0.5 OUTLIER -107.01 160.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 25.7 t -139.86 129.58 24.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.14 155.8 48.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 p -84.68 121.88 28.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.73 -168.21 1.21 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 176.39 9.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.81 78.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.3 m -68.5 166.44 16.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.16 133.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.01 161.05 13.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.86 65.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.44 92.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -133.98 127.62 32.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.08 -166.65 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.31 146.61 52.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.553 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.29 -59.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -74.48 155.73 37.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.62 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.0 m -168.33 74.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -125.07 76.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -71.8 -106.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -46.08 122.73 6.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.601 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -31.24 6.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.752 HG21 ' O ' ' A' ' 81' ' ' VAL . 38.2 t -105.02 141.26 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -153.16 131.39 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.3 m95 -123.89 109.01 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 48.6 mm-40 -140.13 153.5 69.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.1 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -71.07 -173.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.944 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -40.15 78.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.8 -72.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.99 -23.96 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.11 -28.87 69.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -103.46 161.18 14.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -127.18 107.07 9.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.2 mm -84.25 124.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -126.87 134.67 8.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.05 150.43 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.743 HD13 HD21 ' A' ' 84' ' ' LEU . 2.6 mp -143.21 117.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.67 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -116.22 133.98 55.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.055 HD23 HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -118.47 145.51 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -125.95 97.94 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.36 26.13 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -83.94 157.58 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 41' ' ' SER . 16.3 mt -82.94 -172.89 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -67.42 -52.35 40.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -52.04 -41.09 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.01 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.86 ' O ' HD12 ' A' ' 37' ' ' LEU . 16.5 m -140.52 122.39 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.591 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -52.15 140.01 33.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 -172.12 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.515 1.798 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -36.24 -44.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -151.86 -67.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 78.03 40.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.043 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 48.54 68.44 1.28 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' HD3' ' A' ' 114' ' ' LYS . . . -48.3 -24.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -68.21 -6.17 22.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.055 HD22 HD23 ' A' ' 33' ' ' LEU . 2.0 mp 69.22 -60.37 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 145.01 40.77 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -158.81 150.48 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.926 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.64 133.06 53.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.807 HG22 HD11 ' A' ' 52' ' ' LEU . 25.1 t -118.92 146.43 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.2 t -130.71 112.56 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.28 -166.72 24.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.596 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 52.84 19.85 7.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.1 ttpt -77.32 123.1 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.82 115.63 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -91.81 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -86.68 -21.64 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.4 p -80.33 -6.51 58.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.51 22.42 62.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -117.94 168.26 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD22 ' C ' ' A' ' 57' ' ' GLY . 31.0 mt -106.82 135.19 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -143.76 147.32 34.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.15 133.44 42.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 15.4 m-85 -133.25 145.59 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.843 HG22 ' HA ' ' A' ' 86' ' ' PRO . 87.9 mt -68.18 138.13 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.497 HG21 ' CG2' ' A' ' 55' ' ' VAL . 65.7 p -110.4 -45.09 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.15 146.14 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -141.0 114.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -53.97 129.38 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.66 104.62 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 80' ' ' THR . . . 115.72 22.99 4.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.762 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -116.56 177.62 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.47 -60.87 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.914 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -75.06 58.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -177.71 -53.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 76' ' ' SER . 32.6 p -76.06 -41.1 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.752 ' O ' HG21 ' A' ' 16' ' ' VAL . 13.7 m -107.81 -38.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -77.66 -37.18 31.14 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 54.37 43.18 30.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.914 HD12 ' HB1' ' A' ' 78' ' ' ALA . 5.2 mt -80.37 -174.54 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -157.86 147.62 15.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.843 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.04 86.9 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.96 -30.02 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.492 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.7 m-20 -54.76 -176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.525 ' HG3' ' CD1' ' A' ' 68' ' ' PHE . 33.3 tt0 -137.96 101.37 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.484 HG13 HD12 ' A' ' 98' ' ' LEU . 3.5 p -73.34 116.44 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 124' ' ' SER . 49.3 mt -84.49 -58.03 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -112.99 160.72 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.772 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 5.8 t-105 -144.83 92.25 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.4 t-20 71.85 27.16 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.33 -13.37 61.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -83.81 114.85 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 131.04 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.801 ' CD2' HD13 ' A' ' 109' ' ' ILE . 14.9 mt -98.45 -21.17 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.42 114.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.49 -23.51 18.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.17 138.95 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.2 p -76.19 169.85 17.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.6 -38.32 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.89 -44.74 54.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -55.09 -50.97 67.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 109' ' ' ILE . 47.7 t -58.15 -39.79 74.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.99 -47.6 61.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' GLU . 27.3 m-80 -49.43 -33.05 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.801 HD13 ' CD2' ' A' ' 98' ' ' LEU . 10.8 mt -66.24 -72.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.579 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.7 mt -46.89 -36.56 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.28 -37.79 68.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.1 mm-40 -73.56 -27.33 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.8 m -92.25 24.59 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -70.53 -50.4 14.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.97 -27.59 9.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.69 144.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.591 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.03 -32.89 4.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.614 ' HB2' HD21 ' A' ' 32' ' ' LEU . 13.6 pt20 -139.32 162.18 35.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.946 ' HB ' HD21 ' A' ' 50' ' ' LEU . 93.0 t -133.73 120.39 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.591 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -105.73 132.0 52.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.772 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 5.0 mp -118.87 163.39 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.6 t -145.54 111.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -110.35 143.29 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.459 ' HB2' HD11 ' A' ' 91' ' ' LEU . 44.0 t -111.89 109.46 19.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.57 162.34 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.5 p -103.61 103.13 13.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 60.12 153.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.17 31.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 m 55.73 85.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 76.0 p -76.05 147.47 38.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.955 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -123.13 87.15 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 m -42.82 107.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.42 78.43 1.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 p -168.95 124.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -173.79 101.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 8' ' ' HIS . . . 71.04 -108.13 2.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 3.7 t-160 80.57 -63.98 0.19 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 0.756 . . . . 0.0 109.593 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.6 m -109.27 133.45 53.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -174.94 -62.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 p -105.71 77.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.91 77.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.16 -155.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -63.27 147.03 95.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.655 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -22.37 14.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -114.26 138.52 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.96 133.64 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CH2' HG21 ' A' ' 123' ' ' VAL . 91.8 m95 -130.07 109.2 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.477 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 29.4 mm-40 -136.85 153.43 75.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.537 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.15 41.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.6 p -79.04 -176.68 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -48.91 -48.96 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.7 -66.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.18 -32.1 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 127' ' ' GLY . 1.0 OUTLIER -50.63 -37.21 39.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -99.32 140.51 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -107.95 111.91 24.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' GLN . 7.9 mm -88.25 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.34 134.49 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 104.25 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 84' ' ' LEU . 2.8 mp -92.04 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 33' ' ' LEU . 1.7 tm? -137.86 130.13 29.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.947 ' HB2' HG13 ' A' ' 119' ' ' VAL . 21.7 mt -121.52 145.11 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -121.27 169.95 10.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ARG . 6.8 mttp -137.42 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' NH1' ' CA ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -38.16 132.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 43' ' ' PRO . 4.0 mt -70.75 -172.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -37.69 84.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.29 -43.26 99.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' NH1' ' A' ' 36' ' ' ARG . . . 115.54 55.52 0.36 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -164.48 139.99 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG21 ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -75.34 126.61 87.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.623 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.92 177.95 7.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -44.65 -28.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.36 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -73.56 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.67 88.81 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -60.52 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.63 4.96 33.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.85 ' HG ' HD13 ' A' ' 33' ' ' LEU . 2.2 mm? 68.76 -61.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.23 -30.15 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.825 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -95.95 168.17 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 109.232 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.825 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.3 138.13 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG2' HD21 ' A' ' 52' ' ' LEU . 87.2 t -114.24 145.91 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.707 HG23 HG21 ' A' ' 70' ' ' THR . 3.5 t -129.56 112.8 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.42 -165.63 24.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 54.14 18.38 9.24 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -75.56 126.28 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.96 115.45 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -86.41 -167.64 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.99 5.5 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.87 9.79 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.28 20.53 73.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -109.56 174.92 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 57' ' ' GLY . 39.8 mt -112.73 142.02 45.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 78.4 m -152.5 153.4 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -150.36 145.0 25.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.776 HG22 ' HA ' ' A' ' 86' ' ' PRO . 98.2 mt -67.99 130.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.707 HG21 HG23 ' A' ' 55' ' ' VAL . 18.0 p -98.96 -51.53 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -148.03 144.17 27.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -135.25 112.15 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -53.99 138.95 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.63 103.37 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.06 27.73 2.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.91 -175.15 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.653 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.0 mm? -55.46 -58.31 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.787 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -79.08 64.44 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.422 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 16.5 t70 178.01 -52.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.482 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 23.8 p -90.12 -24.31 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.7 -37.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -91.58 -36.72 6.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 95.1 m-70 57.02 36.18 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.63 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.787 HD12 ' HB1' ' A' ' 78' ' ' ALA . 8.3 mt -70.53 -170.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -159.16 142.9 10.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.776 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.29 -25.24 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.77 167.65 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 50.8 tt0 -115.71 107.31 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 43.7 t -71.16 110.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.618 HD11 ' CB ' ' A' ' 124' ' ' SER . 87.4 mt -73.9 -57.34 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -129.69 159.36 36.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 121' ' ' LEU . 5.1 t-105 -135.26 96.43 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.46 20.06 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.45 46.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.582 ' HB3' HD13 ' A' ' 109' ' ' ILE . 15.6 mmt-85 -90.09 112.44 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 133.37 48.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -96.11 -24.41 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.28 113.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.19 -31.4 7.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.103 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.33 141.61 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.4 p -73.29 173.81 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.07 -35.46 75.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -76.57 -43.53 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -54.65 -59.87 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.542 HG21 ' HA3' ' A' ' 56' ' ' GLY . 70.7 t -47.64 -46.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.44 -52.23 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 112' ' ' GLU . 37.1 m-20 -49.89 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.582 HD13 ' HB3' ' A' ' 96' ' ' ARG . 96.9 mt -47.9 -65.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.556 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.4 mt -52.12 -27.37 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.482 HD12 ' HD3' ' A' ' 114' ' ' LYS . 3.3 tp -77.6 -27.66 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ILE . 0.9 OUTLIER -81.75 -13.88 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.405 ' HG ' ' HE1' ' A' ' 93' ' ' TRP . 1.9 m -97.35 12.9 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -65.74 -52.85 39.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -32.1 5.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.28 146.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.558 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 -39.15 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 119' ' ' VAL . 0.3 OUTLIER -131.1 -177.5 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.947 HG13 ' HB2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -154.54 106.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.687 HD22 ' CE3' ' A' ' 93' ' ' TRP . 24.3 mt -91.9 164.69 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 2.8 t -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.529 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -131.47 153.22 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.618 ' CB ' HD11 ' A' ' 91' ' ' LEU . 2.8 t -144.14 111.52 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.95 162.85 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 p -100.38 113.1 25.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -76.8 -163.15 16.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.4 m -117.18 104.94 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.957 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.27 90.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.68 167.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.5 121.38 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.9 -72.63 0.4 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.88 129.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.8 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -156.64 147.87 22.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.2 108.99 0.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.1 173.78 12.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -96.29 160.58 14.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.81 153.22 40.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.568 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.1 77.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -119.81 77.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.1 -109.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -89.17 145.33 34.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.59 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.06 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG12 HG23 ' A' ' 31' ' ' ILE . 2.8 m -102.71 144.18 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.12 122.51 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.543 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 97.0 m95 -112.58 109.35 18.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -135.74 149.61 69.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.493 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 156.1 43.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.1 p -69.42 -170.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -45.68 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -72.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.19 -30.96 2.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 127' ' ' GLY . 47.1 m-20 -54.91 -29.75 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -101.63 159.36 15.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -125.97 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' GLN . 19.7 mm -92.73 117.28 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -114.03 136.6 13.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.99 115.1 19.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.818 HD13 HD21 ' A' ' 84' ' ' LEU . 4.7 mp -99.02 158.81 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.4 tm? -141.19 140.73 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 77' ' ' LEU . 5.2 mt -133.96 142.38 47.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -124.28 153.3 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -118.53 -41.74 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -40.6 115.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.82 174.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -49.56 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.78 -45.52 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 45.04 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.4 p -145.07 131.88 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.95 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 117' ' ' PRO . 73.0 t -74.56 132.21 78.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.42 18.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.66 -33.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 103.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.61 43.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 87.62 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -52.74 -52.64 55.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.5 13.08 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 67.1 -73.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.56 39.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -157.67 157.57 33.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.867 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -105.87 135.21 47.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.753 ' CG2' HD11 ' A' ' 52' ' ' LEU . 89.8 t -124.51 146.94 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 103' ' ' PHE . 2.4 p -135.66 112.71 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.68 -172.63 26.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.783 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 62.8 11.41 36.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.8 OUTLIER -72.46 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -76.24 114.38 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -84.84 -164.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.68 -20.7 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 9.03 36.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.037 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.76 19.03 72.89 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -101.06 165.93 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.783 HD22 ' O ' ' A' ' 57' ' ' GLY . 59.2 mt -115.78 137.77 51.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.34 158.42 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.325 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 106' ' ' VAL . . . -90.95 133.37 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' A' ' 89' ' ' GLU . 80.8 m-85 -122.53 145.87 47.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.751 HG22 ' HA ' ' A' ' 86' ' ' PRO . 89.7 mt -84.62 122.41 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.707 HG21 ' HE2' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -91.14 -45.91 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.16 160.66 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 40.8 t -138.28 117.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' GLY . 3.9 tptm -54.54 141.08 32.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 102.84 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.18 44.73 1.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.595 ' N ' HG23 ' A' ' 80' ' ' THR . 6.5 m -137.39 172.95 12.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.4 mm? -42.86 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.612 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -68.86 63.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 77' ' ' LEU . 4.3 t70 175.24 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 76' ' ' SER . 59.2 p -76.12 -27.88 57.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG23 HD23 ' A' ' 33' ' ' LEU . 5.3 m -118.89 -40.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 -45.02 8.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 69.56 9.42 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.818 HD21 HD13 ' A' ' 31' ' ' ILE . 9.3 mt -46.61 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -149.47 153.69 37.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.751 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 107.63 2.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.47 -27.01 1.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.523 ' HB3' HG11 ' A' ' 123' ' ' VAL . 0.6 OUTLIER -67.71 -178.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 42.4 tt0 -135.26 110.12 8.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 21.4 t -75.37 123.8 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 124' ' ' SER . 12.5 mt -95.05 -59.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 122' ' ' VAL . 38.3 mt-10 -113.65 148.77 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.916 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 7.2 t-105 -136.06 93.87 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 74.28 17.33 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.32 -10.83 43.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -84.26 113.64 21.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 tp -66.72 132.87 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 106' ' ' VAL . 35.8 mt -100.76 -20.96 15.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -60.0 117.1 4.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.56 -33.11 5.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.04 144.09 55.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 102' ' ' THR . 6.1 p -76.14 175.8 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CD1' HG23 ' A' ' 55' ' ' VAL . 89.7 t80 -58.74 -48.18 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.42 -42.12 99.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -60.33 -55.42 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 67' ' ' ALA . 36.3 t -53.56 -40.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.8 -54.23 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -42.35 -41.51 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.494 HD13 ' CD2' ' A' ' 98' ' ' LEU . 4.7 mt -55.12 -67.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.1 mt -46.01 -27.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.506 HD23 ' CD ' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -74.79 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.37 -21.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.18 25.01 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 5.3 mtpt -73.35 -50.94 6.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.97 -25.1 12.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -40.9 141.88 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.462 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.98 -31.49 6.19 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 2.4 pt20 -142.0 170.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.683 HG12 ' CD1' ' A' ' 121' ' ' LEU . 3.0 t -144.04 122.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -104.49 106.13 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.916 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 1.9 mp -98.78 161.38 13.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.748 HG22 ' H ' ' A' ' 92' ' ' GLU . 1.3 m -145.77 139.85 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -134.39 142.72 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.658 ' HB2' HD11 ' A' ' 91' ' ' LEU . 3.4 t -106.23 125.84 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.4 163.38 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.0 p -114.07 104.46 12.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -77.87 -166.2 27.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.53 4.05 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.6 p -121.04 153.67 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.0 t -58.73 146.68 35.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.097 . . . . 0.0 110.961 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 p -122.94 143.46 49.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.998 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.94 162.11 28.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.46 126.24 7.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -176.52 82.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -172.93 155.06 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.85 -75.43 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 52.53 98.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.603 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.4 p -101.68 139.37 37.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -106.48 175.27 5.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.578 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.75 75.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.02 78.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 23.3 m-70 -116.21 141.09 27.27 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.02 -40.14 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 m -100.65 143.85 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.44 123.93 10.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 86.6 m95 -109.55 109.32 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.7 mp0 -133.68 150.4 74.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 159.41 41.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -76.47 172.7 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -51.0 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -64.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.77 -30.28 3.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -51.62 -24.48 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' NH2' ' HB3' ' A' ' 126' ' ' SER . 3.9 mmt180 -111.99 155.29 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -120.79 119.08 31.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' GLN . 15.9 mm -94.54 110.6 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.26 135.62 12.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' C ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 135.41 54.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.754 HD13 HD21 ' A' ' 84' ' ' LEU . 4.0 mp -131.52 111.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 15' ' ' PRO . 5.3 tp -108.8 116.3 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.782 HD23 HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -103.71 145.43 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 118' ' ' GLN . 12.7 t-20 -136.62 123.67 21.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.82 -28.67 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -39.0 106.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 41' ' ' SER . 3.4 mt -51.2 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -49.86 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.16 -37.37 54.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.65 48.4 0.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 37' ' ' LEU . 45.1 m -155.23 136.01 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.815 HG21 ' HA ' ' A' ' 117' ' ' PRO . 95.4 t -75.78 135.87 70.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.41 -33.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.84 78.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -53.08 -56.02 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 178.5 70.43 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.158 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.488 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -49.3 -46.19 46.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.98 -14.92 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.969 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.782 HD22 HD23 ' A' ' 33' ' ' LEU . 1.8 mp 68.85 7.26 6.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.05 44.78 44.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -157.71 155.63 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.697 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.8 144.71 43.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.726 HG23 HD11 ' A' ' 52' ' ' LEU . 57.3 t -134.82 143.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.673 HG23 ' CE1' ' A' ' 103' ' ' PHE . 5.7 p -124.47 111.09 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.49 -174.62 32.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.775 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 57.96 14.65 17.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.48 119.06 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.494 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -76.88 112.51 13.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 p -83.37 -166.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.461 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.24 -8.09 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.22 -4.39 35.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.13 7.97 84.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.74 158.42 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 57' ' ' GLY . 43.4 mt -107.59 144.14 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -158.61 152.54 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.707 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.28 135.48 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 96.3 m-85 -127.22 138.09 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 86' ' ' PRO . 72.0 mt -74.53 124.81 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.455 HG21 ' HE2' ' A' ' 53' ' ' LYS . 21.8 p -94.14 -45.05 7.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -151.21 155.9 39.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 47.8 t -131.38 130.83 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -61.41 112.53 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 104.43 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.7 45.75 1.74 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -139.49 170.24 16.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.3 mt -43.76 -65.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.589 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.68 61.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t0 176.95 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.528 ' HG1' ' H ' ' A' ' 80' ' ' THR . 29.1 p -87.5 -41.47 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.505 HG23 ' CD1' ' A' ' 33' ' ' LEU . 4.9 m -103.51 -37.38 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.27 -36.18 24.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.2 m80 64.36 18.59 11.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.754 HD21 HD13 ' A' ' 31' ' ' ILE . 12.7 mt -59.72 166.91 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 158.73 32.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.77 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.98 111.59 3.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.82 -20.85 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CG ' HG21 ' A' ' 123' ' ' VAL . 1.2 m-20 -70.96 175.11 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 91' ' ' LEU . 43.2 tt0 -129.81 104.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.676 HG13 ' HB3' ' A' ' 67' ' ' ALA . 2.4 p -73.66 100.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -62.79 -61.59 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.851 ' OE2' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -113.18 175.01 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CH2' HD13 ' A' ' 50' ' ' LEU . 12.2 t-105 -150.79 94.72 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 107.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.46 16.2 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.87 -7.61 35.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 12.8 mmt-85 -89.64 125.01 35.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.851 HD12 ' OE2' ' A' ' 92' ' ' GLU . 1.7 tp -75.47 128.46 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.453 HD22 HG13 ' A' ' 106' ' ' VAL . 50.9 mt -95.5 -17.94 21.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -62.5 119.82 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.95 -41.49 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 143.6 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 106' ' ' VAL . 6.8 p -75.33 174.18 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.673 ' CE1' HG23 ' A' ' 55' ' ' VAL . 73.3 t80 -59.02 -48.16 82.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.28 -41.81 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.17 -51.75 67.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 102' ' ' THR . 92.7 t -52.31 -43.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 2.9 t80 -63.01 -47.13 84.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -51.63 -33.2 32.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 106' ' ' VAL . 25.6 mt -68.98 -52.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.548 HG23 ' CZ2' ' A' ' 93' ' ' TRP . 5.9 mt -63.23 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.535 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.6 tm? -71.95 -32.5 67.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.5 -22.98 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -94.42 24.75 4.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 4.5 mtpp -72.77 -48.08 8.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.93 -4.56 15.59 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 5.9 mt-10 -72.64 135.07 81.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.815 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.96 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 16.0 mt-30 -122.24 174.1 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.615 ' HB ' HD21 ' A' ' 50' ' ' LEU . 60.0 t -155.18 103.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -92.15 107.9 19.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.441 ' CD2' HG12 ' A' ' 119' ' ' VAL . 6.9 mt -93.22 162.25 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 91' ' ' LEU . 22.5 t -147.71 111.57 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -111.57 160.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.458 ' HB3' HD21 ' A' ' 91' ' ' LEU . 12.3 t -140.95 107.2 5.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.23 165.44 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.402 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p -92.33 116.03 28.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.93 153.13 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.95 11.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.4 t -50.63 137.56 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.2 m -70.4 105.55 3.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 111.012 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.29 82.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -121.92 122.84 40.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.035 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.48 -62.02 0.3 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.59 138.47 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.961 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -152.64 134.14 14.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.98 90.93 1.08 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.73 153.09 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.21 155.84 41.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -46.56 127.22 9.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.602 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.85 79.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.39 77.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.07 81.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -43.58 148.17 0.73 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.634 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.29 2.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 31' ' ' ILE . 3.4 m -103.28 154.38 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.79 120.23 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.433 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.1 m95 -106.78 109.41 21.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -133.69 150.84 75.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.606 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 158.17 42.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.7 p -70.77 -173.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -43.74 85.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.82 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.55 -21.86 3.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.577 1.173 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -65.18 -35.45 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -95.13 164.99 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -129.83 119.02 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mm -98.26 111.0 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.3 146.57 16.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.9 mtm180 -128.54 127.86 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.626 HG23 ' HA2' ' A' ' 82' ' ' GLY . 3.7 mp -119.11 108.2 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.83 123.25 35.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.87 ' CB ' HG13 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -110.89 122.77 48.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -98.55 168.11 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.8 mtpp -142.66 -46.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.1 mtt180 -37.99 111.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.48 -139.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -43.91 21.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -26.6 60.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.43 53.9 5.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -125.86 1.59 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 ' HA ' ' A' ' 117' ' ' PRO . 40.5 t 59.96 129.23 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -75.02 158.55 42.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -52.84 9.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.86 -77.41 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 7.4 p 69.32 57.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.9 75.56 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -56.75 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.3 11.5 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.836 HD11 HG11 ' A' ' 119' ' ' VAL . 1.6 mm? 68.58 -61.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.94 -31.74 0.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.982 HD13 HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -96.16 171.35 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.712 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.85 107.07 12.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 52' ' ' LEU . 47.9 t -89.55 140.53 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.728 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.4 t -122.36 112.54 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.16 -175.45 28.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 62.73 12.01 39.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.98 130.55 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.781 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.2 tpt -91.67 111.89 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.3 p -80.52 -162.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.61 0.41 56.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.99 6.71 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.43 6.36 70.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.85 160.26 15.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD21 ' SD ' ' A' ' 59' ' ' MET . 43.9 mt -112.58 143.51 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.1 t -160.45 159.38 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -102.58 127.86 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 44.9 m-85 -124.03 142.24 51.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.982 HG23 HD13 ' A' ' 52' ' ' LEU . 76.5 mt -64.77 133.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.728 HG21 ' CG2' ' A' ' 55' ' ' VAL . 18.5 p -104.69 -51.51 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -144.55 149.99 36.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 78' ' ' ALA . 61.7 t -126.83 118.68 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 132.58 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 102.63 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 47.48 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 80' ' ' THR . 50.4 m -138.6 164.35 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 3.9 mm? -39.16 -61.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.687 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -72.11 59.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 176.42 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 76' ' ' SER . 24.0 p -76.78 -42.25 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 33' ' ' LEU . 16.1 m -107.65 -40.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.626 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -79.32 -42.06 12.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.8 m80 65.3 10.96 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.597 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD21 HD13 ' A' ' 31' ' ' ILE . 8.2 mt -48.21 173.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -153.64 156.12 32.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.594 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.97 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.1 -25.58 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -179.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.25 107.48 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.69 HG13 HD12 ' A' ' 98' ' ' LEU . 2.8 p -74.46 101.77 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 124' ' ' SER . 49.4 mt -64.0 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -115.44 162.58 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CD2' ' CD2' ' A' ' 121' ' ' LEU . 5.7 t-105 -141.16 96.32 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.8 t-20 70.39 25.72 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.49 -9.14 60.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.477 ' HB3' HD13 ' A' ' 109' ' ' ILE . 13.9 mmt180 -88.77 118.77 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.3 132.93 42.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.69 HD12 HG13 ' A' ' 90' ' ' VAL . 14.6 mt -98.68 -22.22 16.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -57.22 114.08 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.44 -27.32 15.94 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.92 144.13 49.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.5 p -79.31 172.15 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.401 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 60.2 t80 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.24 -50.79 59.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.47 -60.56 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.557 HG21 ' HA3' ' A' ' 56' ' ' GLY . 74.0 t -46.05 -51.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -58.47 -60.72 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.1 m-80 -40.2 -50.03 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 96' ' ' ARG . 90.9 mt -47.96 -65.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -46.87 -40.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.574 HD12 ' HD3' ' A' ' 114' ' ' LYS . 10.3 tp -67.85 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.3 mt-10 -74.39 -5.05 40.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -112.77 12.88 19.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.574 ' HD3' HD12 ' A' ' 111' ' ' LEU . 22.0 mtpt -65.85 -51.98 44.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -40.94 145.03 0.58 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.484 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.03 -27.63 9.81 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -146.84 176.86 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.87 HG13 ' CB ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -149.55 111.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.06 102.89 14.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.629 ' CD2' ' CD2' ' A' ' 93' ' ' TRP . 16.4 mt -93.11 165.08 13.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.7 t -143.55 126.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.457 ' CG2' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -118.55 146.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.547 ' HB2' HD11 ' A' ' 91' ' ' LEU . 32.4 t -125.33 127.09 46.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -137.98 162.02 35.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 p -90.48 122.11 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.78 152.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.25 42.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.0 m -69.54 170.92 9.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.032 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.7 t -137.93 157.71 45.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -98.71 152.57 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.998 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -136.49 -59.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.38 154.95 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -112.08 -61.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -50.36 -58.74 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.12 85.94 0.08 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -73.28 123.73 24.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.596 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.43 -67.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.11 -73.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.0 p -175.69 77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -114.79 71.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.64 100.95 10.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.519 ' CD2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -45.27 113.89 2.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.597 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -23.67 13.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.766 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.75 142.27 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.519 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -151.54 121.34 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.711 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 88.2 m95 -111.21 109.59 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.94 150.93 74.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.53 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 p -64.57 -175.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -52.87 57.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -74.85 -81.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.78 46.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.15 -41.91 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -107.57 142.44 37.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.28 107.35 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.8 mm -85.32 122.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -117.62 118.36 4.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -111.46 107.69 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.711 HD11 ' CZ2' ' A' ' 18' ' ' TRP . 2.7 mp -102.94 156.32 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.794 HD13 ' N ' ' A' ' 33' ' ' LEU . 2.9 tm? -141.56 143.58 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.882 HD13 HD12 ' A' ' 50' ' ' LEU . 3.2 mt -134.47 145.26 48.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -133.42 132.48 41.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HG2' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -115.86 -10.5 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -41.06 132.03 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 43' ' ' PRO . 20.0 mt -76.88 -172.18 2.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -58.52 -31.41 67.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.09 -31.78 27.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.43 48.44 4.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' VAL . 16.2 m -128.67 5.22 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG22 ' HG2' ' A' ' 35' ' ' LYS . 36.8 t 60.34 132.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.683 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 164.19 33.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -38.48 -51.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.93 107.57 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -103.83 -70.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.11 80.11 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.81 -60.09 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.26 3.84 53.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.882 HD12 HD13 ' A' ' 33' ' ' LEU . 1.8 mm? 68.75 6.78 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.7 -13.13 65.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -103.17 163.39 12.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.833 ' N ' HD12 ' A' ' 52' ' ' LEU . 80.1 tttt -120.45 142.9 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.75 ' CG2' HD11 ' A' ' 52' ' ' LEU . 75.6 t -131.56 136.62 56.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.859 HG23 HG21 ' A' ' 70' ' ' THR . 3.5 t -114.66 113.05 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.61 -167.7 32.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 53.58 18.93 8.36 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.8 ttpt -71.1 120.8 17.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.25 115.86 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.467 ' HG1' ' C ' ' A' ' 64' ' ' ARG . 18.3 p -85.12 -171.01 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -86.16 -6.39 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.51 15.22 24.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.61 71.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' C ' ' HG1' ' A' ' 60' ' ' THR . 1.0 OUTLIER -104.1 167.69 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 57' ' ' GLY . 27.9 mt -109.48 143.98 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 m -152.03 165.01 36.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' VAL . . . -115.41 143.53 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 31.6 m-85 -144.48 144.24 31.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.856 HG22 ' HA ' ' A' ' 86' ' ' PRO . 87.8 mt -63.86 140.79 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.859 HG21 HG23 ' A' ' 55' ' ' VAL . 30.9 p -111.89 -46.38 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 144.85 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.568 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.84 109.63 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -53.61 149.28 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 108.34 19.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.466 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.08 19.59 5.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -111.06 171.6 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.838 HD22 ' HB3' ' A' ' 33' ' ' LEU . 4.4 mt -44.76 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.793 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.81 59.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -169.36 -52.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.555 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 30.8 p -86.53 -38.64 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.597 HG23 ' CD2' ' A' ' 33' ' ' LEU . 16.5 m -104.94 -38.87 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.686 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -79.17 -45.86 8.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.555 ' CE1' ' O ' ' A' ' 80' ' ' THR . 95.8 m-70 64.03 34.01 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -71.99 -172.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.412 ' HA ' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -160.07 150.81 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.856 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.93 90.77 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.46 -37.59 0.25 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.537 ' HB3' HG11 ' A' ' 123' ' ' VAL . 3.4 m-20 -50.4 179.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 0.727 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.533 ' C ' HG12 ' A' ' 123' ' ' VAL . 53.7 tt0 -136.77 100.83 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 98' ' ' LEU . 7.2 p -74.95 123.69 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.4 mt -91.57 -54.26 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -111.7 160.02 17.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 18.2 t-105 -142.81 92.14 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.1 t-20 76.85 13.85 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.73 -10.57 30.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.13 118.85 25.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.73 131.32 44.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 106' ' ' VAL . 26.0 mt -97.07 -22.56 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -56.94 117.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.25 -31.16 7.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.18 143.95 51.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 p -81.08 167.04 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -46.04 -47.34 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.95 -54.4 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.59 -56.31 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.609 ' HA ' HD12 ' A' ' 109' ' ' ILE . 83.8 t -50.96 -51.7 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ASN . 7.1 t80 -59.05 -58.48 8.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' TYR . 41.6 m-20 -40.23 -48.54 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 106' ' ' VAL . 30.9 mt -51.03 -56.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.2 mt -56.14 -23.72 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.42 -25.26 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.12 -18.12 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -95.04 7.66 45.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -58.68 -51.87 78.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.01 -30.54 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.83 145.84 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.557 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -33.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 3.4 pt20 -136.41 179.05 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.0 t -147.46 108.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.07 122.35 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.445 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 8.1 mt -106.01 161.4 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -148.68 102.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.537 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -108.91 143.94 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -116.12 117.62 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.3 163.89 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.8 122.75 44.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.89 -176.17 26.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 140.06 25.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.546 1.814 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.7 t -150.93 -53.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.5 p -160.65 86.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 111.022 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -76.24 103.62 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -174.8 144.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.75 112.17 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -150.07 132.14 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 110.005 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.6 157.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.73 -174.48 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -144.6 61.99 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 109.623 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 t -134.14 81.56 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.59 164.92 31.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.545 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 m -103.87 171.14 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t0 65.41 70.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -55.66 -94.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.4 147.68 66.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.626 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.69 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.862 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.1 m -97.76 147.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -149.74 122.56 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.587 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 89.9 m95 -117.67 109.07 16.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 19.6 mm-40 -140.21 152.31 66.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.04 164.1 33.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -64.75 170.1 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -42.75 -57.1 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.54 -70.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.76 43.26 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.31 -45.27 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -100.05 148.8 24.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.68 128.31 48.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -109.26 99.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -95.53 126.17 8.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HG3' HG13 ' A' ' 122' ' ' VAL . 3.3 mtt180 -119.91 116.08 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.944 HD13 HD21 ' A' ' 84' ' ' LEU . 3.8 mp -107.24 136.95 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -128.7 134.06 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -119.65 145.11 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -116.16 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.658 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -111.23 -19.55 12.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 7.1 mtp-105 -65.2 115.64 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD11 ' CD ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -68.93 -143.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -48.89 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -42.7 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 36' ' ' ARG . . . 94.71 44.11 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.752 ' O ' ' O ' ' A' ' 42' ' ' VAL . 59.9 m -140.65 0.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.752 ' O ' ' O ' ' A' ' 41' ' ' SER . 5.3 p 48.27 143.97 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 166.25 29.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -38.16 -50.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -150.96 111.38 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.0 44.71 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 62.32 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' A' ' 114' ' ' LYS . . . -53.13 -32.37 47.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.58 5.01 25.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 50' ' ' LEU . 2.6 mm? 68.68 -59.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 153.49 -20.99 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.786 HD21 HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -97.14 159.14 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.648 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.01 144.65 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.786 HG23 HD21 ' A' ' 52' ' ' LEU . 75.3 t -135.71 138.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.629 ' CG2' HG21 ' A' ' 70' ' ' THR . 12.4 t -114.32 112.28 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.32 -173.29 34.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 64.75 9.5 39.47 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.8 129.42 39.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.415 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -92.14 123.48 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 64' ' ' ARG . 18.1 p -95.45 -163.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.78 -28.93 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 p -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.78 -15.48 48.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' HG23 ' A' ' 60' ' ' THR . 9.0 mtt85 -79.37 142.78 35.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 57' ' ' GLY . 17.7 mt -89.86 148.33 23.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -154.45 164.18 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -110.17 144.73 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 41.7 m-85 -140.19 149.41 42.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.827 HG22 ' HA ' ' A' ' 86' ' ' PRO . 86.3 mt -69.4 140.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.629 HG21 ' CG2' ' A' ' 55' ' ' VAL . 32.7 p -116.43 -34.03 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.28 142.52 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.72 112.65 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -55.68 148.67 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.57 109.64 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 113.9 21.89 5.51 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.438 ' N ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -118.08 166.1 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.038 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -43.08 -60.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -74.54 57.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -179.91 -51.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.477 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 41.2 p -75.97 -34.51 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.862 ' O ' HG11 ' A' ' 16' ' ' VAL . 6.9 m -114.76 -38.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.31 -31.79 33.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.452 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.4 m-70 48.27 35.09 5.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.944 HD21 HD13 ' A' ' 31' ' ' ILE . 6.4 mt -66.65 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.509 ' HA ' HG11 ' A' ' 72' ' ' VAL . 16.0 mmt180 -158.54 150.67 17.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.827 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.06 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.34 42.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.668 ' OD2' HG11 ' A' ' 123' ' ' VAL . 0.4 OUTLIER -126.77 -178.32 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -134.71 105.47 6.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' HB ' HD12 ' A' ' 98' ' ' LEU . 3.1 t -76.72 119.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 124' ' ' SER . 99.2 mt -81.04 -55.69 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 26.0 mt-10 -125.36 160.64 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.58 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 14.4 t-105 -136.66 92.49 2.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.3 t-20 72.19 24.49 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.34 -15.83 46.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -83.32 113.02 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.33 132.0 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.557 HD13 HG13 ' A' ' 106' ' ' VAL . 19.6 mt -95.03 -23.44 17.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -53.61 115.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.087 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.06 -32.31 6.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.05 142.24 25.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.9 p -77.33 177.16 8.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.411 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 17.0 t80 -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.0 -37.74 78.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.29 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.642 ' HA ' HD12 ' A' ' 109' ' ' ILE . 78.2 t -47.19 -49.62 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -59.41 -51.72 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -51.83 -44.87 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 106' ' ' VAL . 60.3 mt -50.95 -62.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.58 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -52.12 -26.3 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.63 -27.87 37.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.4 mt-10 -70.6 -31.82 68.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 p -90.76 24.82 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.543 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -61.0 -57.24 27.76 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.91 135.74 0.8 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.436 ' HA ' HG11 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 -21.11 16.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.84 170.73 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.593 HG12 ' CD1' ' A' ' 121' ' ' LEU . 48.0 t -145.36 125.07 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 94' ' ' ASN . 3.4 tt0 -108.89 118.46 36.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.593 ' CD1' HG12 ' A' ' 119' ' ' VAL . 3.8 mp -104.69 161.62 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.66 HG13 ' HG3' ' A' ' 30' ' ' ARG . 2.6 t -147.24 118.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.668 HG11 ' OD2' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -119.33 146.93 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.756 ' HB2' HD11 ' A' ' 91' ' ' LEU . 17.0 t -115.2 123.32 48.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 160.5 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 127' ' ' GLY . 11.0 p -107.25 108.72 20.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 126' ' ' SER . . . -41.7 165.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.72 15.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.1 t -173.87 130.41 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 52.74 96.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.463 ' N ' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.527 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.99 -45.1 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 81' ' ' VAL . 23.5 t -102.11 133.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.79 125.91 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.52 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 90.2 m95 -118.14 108.71 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.443 HE21 ' N ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -132.94 150.56 75.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.554 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 160.96 39.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -77.21 -177.51 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.22 -43.65 64.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -73.25 -65.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.23 -34.11 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.17 -20.01 16.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -110.56 152.09 26.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -121.17 120.56 35.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.78 106.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -98.4 127.19 9.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.03 117.6 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.781 HD13 HD21 ' A' ' 84' ' ' LEU . 4.0 mp -111.37 151.87 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.3 tm? -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 HD12 ' A' ' 50' ' ' LEU . 4.1 mt -135.48 144.67 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -119.33 168.42 10.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ARG . 10.9 mttp -135.61 -46.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.1 mtm180 -37.73 110.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 41' ' ' SER . 3.4 mt -49.07 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -46.63 47.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.82 -36.18 64.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 31.81 2.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.092 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' HD12 ' A' ' 37' ' ' LEU . 70.9 m -133.73 132.25 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG13 ' HD2' ' A' ' 43' ' ' PRO . 75.3 t -71.8 137.72 82.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.02 -174.95 2.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -63.24 -21.2 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER 161.75 108.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -106.86 48.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.82 85.37 1.33 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.744 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -52.4 -38.68 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -89.85 11.46 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 68.8 -62.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.89 -30.63 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.956 HD23 HG23 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -97.07 149.2 22.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.834 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -100.04 136.55 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.647 ' CG2' HD21 ' A' ' 52' ' ' LEU . 54.9 t -121.02 132.88 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.643 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.9 t -118.56 112.68 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.68 -173.79 28.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 58.76 14.93 24.79 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.84 128.22 35.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.459 ' HE1' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -80.93 116.66 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.0 p -83.55 -167.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.95 -4.01 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.43 1.27 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' ' HE1' ' A' ' 59' ' ' MET . . . 80.18 9.01 87.08 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.33 168.03 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.48 148.11 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.4 m -161.62 145.93 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.07 132.12 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -132.34 148.83 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.956 HG23 HD23 ' A' ' 52' ' ' LEU . 68.0 mt -71.66 124.92 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' CG2' ' A' ' 55' ' ' VAL . 73.3 p -91.28 -44.49 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -152.57 152.96 32.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.654 HG21 ' CA ' ' A' ' 85' ' ' ARG . 16.7 t -131.67 118.37 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -57.29 144.47 35.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -93.82 104.27 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.81 43.35 2.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -136.41 171.28 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.96 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.733 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.3 mm? -41.68 -70.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.774 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.64 68.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.3 t70 176.38 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 76' ' ' SER . 36.2 p -87.56 -38.35 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.704 ' O ' HG21 ' A' ' 16' ' ' VAL . 7.0 m -104.8 -39.38 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -81.55 -41.72 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 68.95 13.19 8.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.781 HD21 HD13 ' A' ' 31' ' ' ILE . 27.1 mt -55.9 164.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.654 ' CA ' HG21 ' A' ' 72' ' ' VAL . 2.5 mtp180 -153.38 162.58 26.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.84 4.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.33 -7.55 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.659 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -87.44 164.16 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 55.7 tt0 -121.38 113.84 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 98' ' ' LEU . 18.9 t -75.86 101.08 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 122' ' ' VAL . 1.1 mm? -66.82 -59.05 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -124.21 166.64 15.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.813 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 10.3 t-105 -145.24 103.88 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.438 ' OD1' ' HA ' ' A' ' 119' ' ' VAL . 7.4 m-20 63.03 16.56 9.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.29 -3.55 33.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -92.8 112.23 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.31 130.07 41.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.706 ' CD2' HD13 ' A' ' 109' ' ' ILE . 18.9 mt -98.24 -20.22 17.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -54.44 106.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.6 -30.41 9.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.95 142.32 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -76.53 171.27 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.41 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 58.1 t80 -55.05 -37.09 66.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -75.51 -48.13 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.27 -53.34 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.664 ' HA ' HD12 ' A' ' 109' ' ' ILE . 53.9 t -55.46 -51.28 58.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -58.1 -47.76 82.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -48.7 -52.74 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.706 HD13 ' CD2' ' A' ' 98' ' ' LEU . 9.1 mt -45.42 -74.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.2 mt -39.61 -30.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.612 HD23 ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -72.59 -58.52 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.33 -15.0 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -121.66 23.92 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.744 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -77.63 -48.32 2.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.01 -18.05 19.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.91 152.79 0.53 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.441 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 -40.29 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.465 HE21 HD21 ' A' ' 32' ' ' LEU . 4.0 pt20 -127.46 169.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.684 HG12 ' CD1' ' A' ' 121' ' ' LEU . 39.2 t -144.11 113.31 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 32' ' ' LEU . 8.6 tt0 -104.26 108.72 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.813 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 1.3 mp -94.87 165.18 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 91' ' ' LEU . 23.2 t -147.47 110.67 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.1 p -109.44 163.31 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.466 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 19.8 m -150.1 111.99 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.21 154.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.6 m-70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 81' ' ' VAL . 21.9 t -103.17 133.95 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.07 126.82 12.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.7 m95 -122.33 109.13 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.961 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.487 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.62 153.22 74.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 162.21 37.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -65.09 176.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.35 -53.46 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.59 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.82 -46.53 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.96 142.23 28.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -106.24 104.71 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 28' ' ' ILE . 4.8 mm -86.09 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -127.06 145.16 15.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.552 ' C ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -119.46 145.97 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.641 HD13 HD21 ' A' ' 84' ' ' LEU . 3.5 mp -139.61 108.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD11 HE21 ' A' ' 118' ' ' GLN . 8.4 tp -103.94 116.66 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.554 ' CG ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -99.58 142.29 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.15 119.44 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -7.71 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -49.91 117.96 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.6 mt -48.0 173.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -98.7 29.96 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.94 59.19 5.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -154.21 126.06 7.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.931 HG21 ' HA ' ' A' ' 117' ' ' PRO . 86.9 t -82.21 134.08 49.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.04 171.03 19.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.2 -36.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.38 105.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -55.62 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.22 75.0 0.1 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.974 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.42 -41.91 61.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.65 7.63 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER 68.16 -64.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 171.99 -36.85 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -96.62 162.46 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.886 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.23 124.37 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.653 ' CG2' HD21 ' A' ' 52' ' ' LEU . 74.0 t -105.95 136.49 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -122.78 112.72 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.461 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.59 -175.85 24.96 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.442 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 65.81 8.85 43.16 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 123.62 21.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.699 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.3 tpt -80.89 109.61 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.3 p -71.01 -165.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.41 1.95 56.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.18 5.03 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.45 11.31 85.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.48 169.64 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.699 HD21 ' SD ' ' A' ' 59' ' ' MET . 44.2 mt -113.83 145.44 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -157.55 144.9 18.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.55 126.38 38.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -126.36 145.21 50.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 86' ' ' PRO . 97.4 mt -71.47 128.31 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.1 p -92.98 -54.23 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.437 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -145.13 155.55 43.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 52' ' ' LEU . 63.4 t -129.5 120.1 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 14.8 tptt -60.58 131.99 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.75 104.49 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.59 39.65 2.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 80' ' ' THR . 5.9 t -131.05 167.69 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.0 mm? -40.78 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.814 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -71.44 62.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 73' ' ' LYS . 9.4 t0 177.48 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 76' ' ' SER . 44.4 p -82.3 -34.73 28.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.544 HG23 HD12 ' A' ' 33' ' ' LEU . 6.1 m -112.38 -41.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.61 -36.4 19.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 61.0 15.01 5.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.615 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.814 HD12 ' HB1' ' A' ' 78' ' ' ALA . 11.8 mt -49.6 171.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.25 155.04 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.783 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.05 112.85 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.21 -10.25 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.777 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.5 m-20 -78.22 -178.23 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 91' ' ' LEU . 34.8 tt0 -136.59 113.38 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -77.78 100.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 124' ' ' SER . 0.5 OUTLIER -64.99 -59.25 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -120.28 167.5 12.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.905 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 14.3 t-105 -149.64 105.7 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 119' ' ' VAL . 11.3 m-20 63.21 16.08 9.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.91 45.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.505 ' HB3' HD13 ' A' ' 109' ' ' ILE . 1.6 mmt85 -102.79 112.66 25.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.96 132.12 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.461 HD13 HG13 ' A' ' 106' ' ' VAL . 30.9 mt -100.43 -20.48 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -53.64 107.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.441 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 99.61 -39.1 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.55 145.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.1 p -78.18 178.18 7.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.419 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 74.8 t80 -62.73 -40.87 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.24 -40.11 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.39 -64.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 98' ' ' LEU . 81.6 t -44.54 -47.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -62.35 -61.82 2.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -40.75 -49.38 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' A' ' 96' ' ' ARG . 97.2 mt -48.05 -65.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -50.85 -38.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 114' ' ' LYS . 23.1 tp -63.7 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.03 -11.97 60.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -123.64 24.7 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.974 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 6.8 mttt -72.49 -50.85 7.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.05 -21.69 15.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.88 146.57 0.31 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.931 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 -34.98 3.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.504 HE21 HD11 ' A' ' 32' ' ' LEU . 4.7 pt20 -131.41 173.94 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.689 HG12 HD13 ' A' ' 121' ' ' LEU . 60.6 t -150.15 126.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -113.0 110.01 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.905 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 3.5 mp -98.85 162.14 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 91' ' ' LEU . 31.2 t -147.79 107.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 1.3 p -108.07 159.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.563 ' HB2' HD21 ' A' ' 91' ' ' LEU . 3.2 m -126.28 141.51 51.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.04 162.95 22.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.475 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.5 m -100.12 146.9 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.04 123.46 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.555 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 89.3 m95 -107.75 109.56 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -134.54 148.98 69.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.99 160.8 39.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 p -76.68 179.17 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -53.44 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -65.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.33 -32.36 2.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -29.76 16.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -102.24 153.01 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -121.5 114.76 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.437 HD12 ' OG ' ' A' ' 124' ' ' SER . 10.2 mm -92.4 116.72 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -107.3 137.73 14.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' C ' HD12 ' A' ' 31' ' ' ILE . 2.7 mtt180 -118.84 141.61 48.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 1.005 HD13 HD21 ' A' ' 84' ' ' LEU . 2.8 mp -140.43 109.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 15' ' ' PRO . 8.0 tp -104.46 114.98 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -96.86 135.05 39.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -127.99 113.62 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -84.53 -33.93 23.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -41.52 111.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 41' ' ' SER . 4.7 mt -51.27 172.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -45.32 62.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -38.93 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.42 48.13 0.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' HD12 ' A' ' 37' ' ' LEU . 5.7 m -153.52 130.95 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG21 ' HA ' ' A' ' 117' ' ' PRO . 69.5 t -64.28 133.24 95.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.783 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -39.04 -37.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.11 -47.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 71.71 34.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.6 91.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.28 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.19 12.36 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER 69.06 -61.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 165.24 -28.4 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.823 HD13 HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -97.47 169.97 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.771 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.16 119.82 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.682 ' CG2' HD11 ' A' ' 52' ' ' LEU . 86.9 t -102.6 139.38 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.578 HG23 HG21 ' A' ' 70' ' ' THR . 3.2 t -122.7 112.47 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 -174.37 33.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 61.06 13.02 32.67 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 127.27 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.824 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.6 tpt -90.2 104.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.1 p -70.66 -161.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -2.85 51.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.71 8.1 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.3 10.74 79.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -91.58 154.96 18.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.824 HD21 ' SD ' ' A' ' 59' ' ' MET . 37.2 mt -112.23 136.95 51.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.7 t -161.99 147.29 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.602 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.16 131.95 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 56.2 m-85 -126.5 141.33 51.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.823 HG23 HD13 ' A' ' 52' ' ' LEU . 77.2 mt -61.93 130.94 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.578 HG21 HG23 ' A' ' 55' ' ' VAL . 11.9 p -103.49 -47.56 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -149.95 145.74 26.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.582 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -139.02 107.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -53.82 145.22 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 107.07 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.45 21.38 5.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 80' ' ' THR . 80.7 p -116.71 167.4 11.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.9 mm? -42.25 -61.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.75 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -74.63 58.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 8.8 t70 178.66 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.475 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 40.3 p -80.62 -33.73 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.682 ' O ' HG11 ' A' ' 16' ' ' VAL . 7.4 m -115.91 -39.72 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.38 -25.31 54.83 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 80' ' ' THR . 94.6 m-70 40.33 40.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.005 HD21 HD13 ' A' ' 31' ' ' ILE . 5.4 mt -74.15 -171.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -156.46 147.73 16.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.801 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.99 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.23 -18.0 1.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -68.15 -171.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 91' ' ' LEU . 27.5 tt0 -136.68 108.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.726 HG13 HD12 ' A' ' 98' ' ' LEU . 5.8 p -77.84 99.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -63.11 -59.66 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -117.15 168.0 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.788 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 9.8 t-105 -147.67 93.2 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 1.8 t30 77.97 18.56 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.69 -2.99 52.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 113.39 25.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.16 133.45 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.726 HD12 HG13 ' A' ' 90' ' ' VAL . 28.6 mt -97.96 -23.35 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.59 115.78 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.98 -27.83 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.44 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.9 p -85.61 170.8 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.9 -46.07 42.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.55 -54.87 25.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -48.1 -58.31 4.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 109' ' ' ILE . 75.7 t -50.62 -48.05 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.49 -54.94 36.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -43.6 -49.26 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 106' ' ' VAL . 52.7 mt -46.82 -74.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.2 mt -40.63 -33.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -68.24 -57.32 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.97 -16.88 13.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -125.34 24.79 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.474 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -74.47 -54.17 3.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -11.92 21.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.447 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.44 150.3 0.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.98 -33.53 4.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.8 pt20 -138.39 165.93 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.595 HG12 ' CD1' ' A' ' 121' ' ' LEU . 37.9 t -147.43 118.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -98.99 102.6 14.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.788 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 7.1 mp -87.76 161.67 17.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 91' ' ' LEU . 37.6 t -148.16 109.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.7 OUTLIER -106.96 161.59 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.48 ' HB2' HD21 ' A' ' 91' ' ' LEU . 11.8 m -145.19 119.8 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.84 159.32 32.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p80 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.28 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -101.85 151.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.74 127.24 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 93.5 m95 -112.89 109.39 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.97 148.74 64.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.481 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 157.75 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 p -72.39 178.85 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.937 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -50.86 23.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -68.72 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 -18.31 4.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.97 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -105.58 163.57 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.67 107.53 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 6.4 mm -81.22 117.27 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.571 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.3 133.37 11.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 2.3 mtt180 -118.74 129.92 55.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.837 HG21 HD11 ' A' ' 84' ' ' LEU . 3.0 mp -125.84 111.57 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -107.05 137.79 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 mm? -120.68 145.4 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -132.77 108.15 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.25 -1.17 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -57.21 125.55 23.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -52.45 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -75.76 -16.39 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -101.57 28.98 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.41 70.61 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 p -172.43 124.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 117' ' ' PRO . 74.8 t -80.76 137.56 50.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.06 170.38 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.4 -43.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -162.88 104.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -72.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.02 63.86 0.41 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.833 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -57.07 -39.5 75.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -91.65 5.04 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? 67.15 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.89 41.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.915 HD23 ' HB1' ' A' ' 78' ' ' ALA . 1.9 pp -157.63 174.18 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.632 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.73 131.73 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.719 HG23 ' CD1' ' A' ' 52' ' ' LEU . 97.6 t -121.42 135.31 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.545 HG23 HG21 ' A' ' 70' ' ' THR . 4.4 t -112.04 112.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -106.39 160.08 14.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 101.92 5.44 50.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 122.29 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.55 117.25 16.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.507 ' CG2' ' SG ' ' A' ' 66' ' ' CYS . 5.2 p -83.09 -172.1 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -88.22 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.24 10.81 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.39 71.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -120.47 171.79 8.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.344 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 102' ' ' THR . 32.3 mt -105.98 153.79 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.597 ' SG ' ' CE2' ' A' ' 68' ' ' PHE . 7.4 p -149.82 166.32 29.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -126.7 126.08 42.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.597 ' CE2' ' SG ' ' A' ' 66' ' ' CYS . 51.3 m-85 -123.39 148.9 45.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.9 HG22 ' HA ' ' A' ' 86' ' ' PRO . 96.0 mt -72.53 135.08 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.545 HG21 HG23 ' A' ' 55' ' ' VAL . 29.0 p -107.78 -43.07 4.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.73 149.07 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.562 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -142.88 113.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -53.3 133.75 39.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 105.57 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.78 21.76 4.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.506 ' N ' HG23 ' A' ' 80' ' ' THR . 75.0 m -116.99 171.91 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.9 mm? -44.32 -61.91 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.915 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -74.98 60.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 177.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.601 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.8 p -79.7 -37.31 35.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.584 ' CG2' HD12 ' A' ' 33' ' ' LEU . 5.6 m -109.99 -40.4 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.91 -38.15 20.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 80' ' ' THR . 73.1 m-70 56.16 41.59 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.58 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 31' ' ' ILE . 1.3 mt -76.51 -177.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HA ' HG11 ' A' ' 72' ' ' VAL . 6.8 mtt180 -153.14 151.32 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.9 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.96 98.68 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.98 -20.59 0.87 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.42 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -64.59 178.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 51.4 tt0 -130.18 101.5 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 98' ' ' LEU . 2.6 p -75.32 101.44 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 124' ' ' SER . 49.4 mt -62.44 -59.38 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.555 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 11.1 t-105 -139.91 93.26 2.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 120' ' ' GLU . 3.7 t-20 75.9 21.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.2 -12.92 44.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -87.29 112.61 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 132.81 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.523 HD12 HG13 ' A' ' 90' ' ' VAL . 28.3 mt -95.54 -24.0 16.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.0 116.2 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 98.33 -30.48 9.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.26 142.87 58.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.7 ' HA ' HD13 ' A' ' 65' ' ' LEU . 3.0 p -81.89 166.95 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -42.04 -51.05 4.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.33 -58.07 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.91 -46.6 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' A' ' 56' ' ' GLY . 24.5 t -59.77 -43.43 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -69.44 -58.12 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' GLU . 23.1 m-80 -40.87 -33.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 93' ' ' TRP . 61.6 mt -64.89 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -55.1 -38.37 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.6 tm? -70.19 -35.32 73.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -71.74 -23.58 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.5 p -96.71 24.66 5.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.833 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.91 -51.35 38.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.03 -25.93 11.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.8 OUTLIER -38.81 139.89 0.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.758 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 -29.33 8.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.527 ' HB2' HD21 ' A' ' 32' ' ' LEU . 3.5 pt20 -141.07 177.17 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.437 HG11 ' CZ2' ' A' ' 93' ' ' TRP . 13.8 t -150.72 104.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.545 ' HB2' HD23 ' A' ' 32' ' ' LEU . 12.1 tt0 -94.07 106.46 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.45 163.64 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.8 t -147.55 100.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.4 p -105.17 163.45 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.729 ' HB3' HD11 ' A' ' 91' ' ' LEU . 8.4 t -148.21 114.23 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.11 27.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 19.4 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.98 -29.37 8.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.53 145.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -147.9 122.24 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 96.1 m95 -108.09 109.41 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.9 mp0 -131.86 147.36 65.64 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 158.41 42.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -72.14 -177.42 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -53.2 -49.35 66.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.19 -57.09 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -31.34 4.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -54.0 -26.37 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -106.42 149.12 27.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -116.65 116.04 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' GLN . 9.9 mm -96.21 118.11 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -112.07 124.2 6.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.54 108.94 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.796 HD13 HD21 ' A' ' 84' ' ' LEU . 4.2 mp -101.15 151.61 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.7 tm? -141.08 138.34 33.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.877 HD13 HD22 ' A' ' 50' ' ' LEU . 3.3 mt -132.55 145.14 50.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -116.82 166.97 11.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.4 mtpm? -134.35 -46.64 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 35' ' ' LYS . 31.0 mtt180 -34.47 114.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.28 -171.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -46.69 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -43.49 67.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.21 0.5 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -158.35 141.75 15.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 117' ' ' PRO . 97.9 t -82.47 132.67 51.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.21 2.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.49 -36.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.8 93.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.96 51.33 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.11 75.22 0.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -48.77 -42.08 34.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -59.32 -14.11 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD22 HD13 ' A' ' 33' ' ' LEU . 1.3 mp 69.37 -61.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 152.89 47.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -157.08 162.06 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.81 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -123.74 146.84 48.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.705 ' CG2' HD11 ' A' ' 52' ' ' LEU . 42.8 t -136.88 143.69 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -123.75 112.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.42 -175.44 29.96 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 16.71 61.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -74.83 118.51 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.741 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.1 tpt -81.36 112.64 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.2 p -79.06 -160.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.3 -0.13 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.32 11.49 20.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.92 14.19 70.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -96.89 160.97 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.741 HD21 ' SD ' ' A' ' 59' ' ' MET . 40.8 mt -115.12 136.46 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -152.95 147.8 26.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 108.352 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.512 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -90.1 150.1 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 80.5 m-85 -143.43 146.23 33.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 86' ' ' PRO . 91.3 mt -72.41 131.95 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.455 HG21 ' CG2' ' A' ' 55' ' ' VAL . 48.1 p -105.05 -42.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -149.87 152.86 35.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 59.3 t -130.3 132.98 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -64.96 126.2 27.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 106.84 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.63 49.43 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -141.05 -177.01 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 109.985 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.5 mm? -51.84 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.674 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.67 67.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.2 t70 177.16 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 76' ' ' SER . 70.8 p -83.6 -41.54 17.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.613 HG23 ' CD2' ' A' ' 33' ' ' LEU . 11.8 m -102.53 -37.24 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.1 -42.13 12.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 67.64 14.38 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.537 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.796 HD21 HD13 ' A' ' 31' ' ' ILE . 4.4 mt -58.76 171.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.28 156.4 31.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.758 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.59 -33.43 0.63 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.512 ' HB3' HG11 ' A' ' 123' ' ' VAL . 1.1 m-20 -60.37 -179.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 35.8 tt0 -136.8 101.36 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.487 HG13 HD12 ' A' ' 98' ' ' LEU . 7.7 p -71.71 121.47 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.27 -55.6 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 27.4 mt-10 -114.15 156.93 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.654 ' CE3' ' CD2' ' A' ' 121' ' ' LEU . 24.3 t-105 -137.77 97.12 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.78 24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.38 -13.58 56.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 2.8 mmt-85 -83.77 117.81 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 133.39 45.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.489 ' CD2' HD13 ' A' ' 109' ' ' ILE . 27.9 mt -99.39 -22.28 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -55.41 120.11 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.16 -31.27 6.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.78 148.37 25.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -87.31 172.06 10.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.43 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -48.65 -44.02 37.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' TYR . 2.1 mt-10 -65.96 -62.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.58 -56.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' A' ' 109' ' ' ILE . 70.5 t -50.05 -45.95 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLU . 1.6 t80 -64.04 -57.01 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -42.7 -48.38 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 106' ' ' VAL . 55.9 mt -48.34 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.52 HG12 ' CE2' ' A' ' 93' ' ' TRP . 5.5 mt -41.83 -28.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' A' ' 111' ' ' LEU . 0.8 OUTLIER -71.57 -63.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.01 -25.51 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -91.91 25.61 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.054 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 1.9 mtpt -71.31 -49.92 11.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -21.04 16.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -41.4 135.53 1.91 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.02 -28.53 9.05 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.8 pt20 -132.54 173.08 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.737 HG21 HD21 ' A' ' 50' ' ' LEU . 3.1 t -145.25 103.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -96.42 121.17 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.654 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 9.5 mt -107.14 164.96 11.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -147.82 105.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -107.39 146.11 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -130.61 106.01 8.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -109.24 150.15 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.557 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.98 -39.71 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.655 HG13 HG13 ' A' ' 31' ' ' ILE . 21.1 t -106.5 133.41 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.92 123.0 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -111.11 109.32 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -136.3 151.06 72.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.579 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.93 158.8 42.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -173.93 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.59 51.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.45 -64.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.2 -41.21 1.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -50.91 -30.6 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -97.69 149.17 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.579 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -115.74 123.57 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.5 mm -104.7 105.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.01 126.2 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.71 112.76 25.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.722 HD13 HD21 ' A' ' 84' ' ' LEU . 3.5 mp -110.35 146.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -141.82 135.53 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD13 HD12 ' A' ' 50' ' ' LEU . 2.8 mt -124.59 142.34 51.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -131.16 141.26 50.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -33.86 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.5 112.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 43' ' ' PRO . 5.9 mt -64.92 -176.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -34.26 49.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.94 -37.51 61.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 36' ' ' ARG . . . 88.58 50.42 3.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' VAL . 3.9 m -130.67 7.09 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' A' ' 36' ' ' ARG . 3.5 t 61.12 132.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.96 -169.14 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' PRO . 19.3 mtm-85 -38.41 -40.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.89 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.25 44.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.9 98.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.841 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.38 -38.74 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.27 18.88 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.733 HD12 HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER 69.28 -60.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 173.35 -32.48 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.577 1.173 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.048 HD13 HG23 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -96.54 171.88 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.686 ' N ' HD12 ' A' ' 52' ' ' LEU . 1.3 tttt -119.19 126.25 51.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 52' ' ' LEU . 58.6 t -109.28 146.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.9 t -131.2 112.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.45 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.43 -171.44 32.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 11.63 43.05 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.54 120.46 17.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -85.65 109.99 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -75.37 -166.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.13 -11.68 40.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.38 -6.67 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 7.49 73.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -96.18 158.32 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 59' ' ' MET . 27.9 mt -110.74 143.12 41.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.72 152.47 17.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -93.58 134.31 36.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 81.8 m-85 -125.04 147.35 49.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.048 HG23 HD13 ' A' ' 52' ' ' LEU . 59.3 mt -69.81 132.61 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.48 HG21 ' CG2' ' A' ' 55' ' ' VAL . 30.8 p -103.78 -48.32 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.81 153.46 38.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.063 HG12 ' OD2' ' A' ' 79' ' ' ASP . 13.2 t -130.44 107.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.4 tptt -54.93 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.56 106.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.56 17.21 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -116.33 -176.47 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 33' ' ' LEU . 6.0 mt -54.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -70.44 57.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 1.063 ' OD2' HG12 ' A' ' 72' ' ' VAL . 2.5 m-20 -162.3 -64.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 12.1 p -84.87 -23.07 29.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 t -106.42 -39.35 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.74 -47.78 5.78 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 80' ' ' THR . 59.1 m-70 76.86 14.4 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.722 HD21 HD13 ' A' ' 31' ' ' ILE . 1.6 mt -64.76 176.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 156.39 32.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.662 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.97 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.12 -14.6 2.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.599 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -78.35 164.4 24.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 41.7 tt0 -115.34 112.47 22.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HE3' ' A' ' 93' ' ' TRP . 20.9 t -77.68 98.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -63.75 -59.26 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.58 169.45 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.623 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 7.8 t-105 -150.73 92.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.6 t-20 78.75 15.89 1.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.18 -7.49 47.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.48 117.58 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.61 127.35 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.764 ' CD2' HD13 ' A' ' 109' ' ' ILE . 17.7 mt -95.36 -15.91 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.71 115.91 5.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.7 -19.18 52.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -66.48 142.58 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 p -81.61 168.81 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -44.55 -47.84 10.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.86 -58.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 21.6 mt-10 -38.79 -52.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.686 ' HA ' HD12 ' A' ' 109' ' ' ILE . 81.4 t -57.7 -51.93 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.1 t80 -58.72 -47.16 85.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 112' ' ' GLU . 28.0 m-80 -48.94 -41.51 34.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.764 HD13 ' CD2' ' A' ' 98' ' ' LEU . 15.1 mt -58.97 -71.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -47.44 -41.47 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.623 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.5 tm? -65.29 -33.97 77.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.9 mm-40 -77.67 -24.55 49.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -97.61 23.64 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.841 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -71.53 -54.21 6.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.05 -17.16 19.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 142.86 20.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.2 4.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.777 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' C ' ' CG2' ' A' ' 119' ' ' VAL . 3.5 pt20 -137.3 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.648 HG12 ' CD1' ' A' ' 121' ' ' LEU . 8.1 t -151.5 117.11 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -98.97 103.71 15.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.648 ' CD1' HG12 ' A' ' 119' ' ' VAL . 2.8 mp -88.06 162.19 16.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' LEU . 42.9 t -148.33 112.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -109.54 163.7 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 27.9 t -150.46 109.18 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 163.14 14.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.002 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -20.42 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 17' ' ' THR . 23.7 t -110.97 140.26 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -153.34 126.38 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 94.8 m95 -120.74 108.89 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 52.7 mm-40 -136.27 151.12 72.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 158.11 42.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -75.95 -177.31 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -49.46 -52.81 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.47 -66.99 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.09 -21.2 4.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.5 -6.94 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -122.8 147.42 46.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -113.37 135.92 53.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -112.91 100.84 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -93.73 126.42 8.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.83 117.26 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.788 HD13 HD21 ' A' ' 84' ' ' LEU . 4.3 mp -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.0 tm? -140.34 142.68 35.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.847 HD13 HD12 ' A' ' 50' ' ' LEU . 5.0 mt -136.95 145.04 43.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -140.84 141.59 34.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -111.07 -22.77 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' LYS . 75.4 mtm180 -38.34 104.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 43' ' ' PRO . 6.4 mt -57.84 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.2 74.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.66 50.39 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 4.8 m -133.54 8.91 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG21 ' HA ' ' A' ' 117' ' ' PRO . 3.9 t 61.42 134.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.5 Cg_endo -75.0 -177.34 3.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.59 -46.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.71 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t 65.43 74.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.76 95.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.674 ' HB1' ' HD3' ' A' ' 114' ' ' LYS . . . -56.4 -38.41 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -86.74 16.72 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.953 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.847 HD12 HD13 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 69.32 -60.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 169.67 -30.47 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.951 HD13 HG23 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -96.65 163.14 13.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.855 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.52 131.44 55.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.599 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 59.4 t -115.19 145.94 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -130.03 112.88 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.59 -177.88 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.21 10.64 62.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.3 ttpt -69.6 118.89 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.616 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.1 tpt -81.47 110.6 17.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 80.8 p -77.35 -172.73 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.37 -20.03 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.23 12.66 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.88 21.67 71.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 155.77 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.616 HD21 ' SD ' ' A' ' 59' ' ' MET . 32.1 mt -114.3 135.83 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -159.83 152.73 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -91.66 132.01 36.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 68.2 m-85 -126.46 138.31 53.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.951 HG23 HD13 ' A' ' 52' ' ' LEU . 68.9 mt -62.75 130.66 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.8 p -104.44 -40.94 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.04 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 14.8 t -141.45 113.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -56.54 113.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -68.97 102.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.48 42.66 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 80' ' ' THR . 0.5 OUTLIER -140.24 171.42 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.0 mt -40.75 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.634 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.54 69.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.48 ' OD2' HG12 ' A' ' 72' ' ' VAL . 3.7 t0 176.21 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.2 p -82.8 -39.58 21.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 77' ' ' LEU . 15.4 m -103.32 -37.86 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -78.48 -44.24 11.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 80' ' ' THR . 89.9 m-70 68.63 18.06 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 109.641 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.788 HD21 HD13 ' A' ' 31' ' ' ILE . 4.8 mt -62.49 171.44 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.35 153.94 31.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.97 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.65 -10.84 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -84.01 176.41 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.3 tt0 -128.59 113.9 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.524 HG13 HD12 ' A' ' 98' ' ' LEU . 2.6 p -81.23 98.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -61.43 -60.6 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.895 ' OE2' HD12 ' A' ' 97' ' ' LEU . 2.6 mp0 -115.6 171.79 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.451 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 9.3 t-105 -150.29 92.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 107.98 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.422 ' ND2' ' CD ' ' A' ' 116' ' ' GLU . 1.4 t-20 73.93 18.36 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.87 -7.47 41.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.435 ' CD ' HG12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -88.09 121.02 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.895 HD12 ' OE2' ' A' ' 92' ' ' GLU . 2.6 tp -74.82 126.1 30.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.642 ' CD2' HD13 ' A' ' 109' ' ' ILE . 36.2 mt -94.16 -17.36 22.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -60.77 119.34 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.01 7.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -58.61 143.31 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 p -81.22 171.13 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -47.76 -44.61 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.3 -59.44 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.413 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 15.2 mt-10 -39.89 -56.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.735 ' HA ' HD12 ' A' ' 109' ' ' ILE . 56.6 t -52.57 -50.3 40.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.38 -54.23 49.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -41.28 -50.75 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 106' ' ' VAL . 10.3 mt -47.98 -70.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.428 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.1 mt -40.48 -31.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.57 HD23 ' HG3' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -70.49 -62.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.79 -21.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -93.87 24.53 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.674 ' HD3' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -74.4 -49.77 5.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.06 -32.11 5.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.422 ' CD ' ' ND2' ' A' ' 94' ' ' ASN . 3.8 mt-10 -37.85 136.27 0.77 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.437 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.03 -33.02 4.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.501 HE21 HD21 ' A' ' 32' ' ' LEU . 4.2 pt20 -132.91 172.32 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.4 t -146.67 113.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -99.66 108.54 20.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.451 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 6.9 mt -91.53 162.46 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 91' ' ' LEU . 24.4 t -148.49 110.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -109.4 157.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 41.2 t -140.44 107.98 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 159.65 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.02 -35.99 2.79 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 81' ' ' VAL . 11.7 t -99.74 139.07 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -153.16 120.49 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.9 m95 -108.2 108.22 19.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -131.68 150.73 77.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.02 157.49 42.65 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -68.16 -172.07 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -67.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.42 -27.73 3.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.23 -32.79 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -100.86 159.28 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -124.49 112.98 17.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' GLN . 26.1 mm -91.17 107.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -102.29 135.36 12.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -118.13 128.91 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.923 HD13 HD21 ' A' ' 84' ' ' LEU . 3.6 mp -123.49 109.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.586 HD11 HE21 ' A' ' 118' ' ' GLN . 5.5 tp -107.45 117.46 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.68 ' CB ' HD12 ' A' ' 50' ' ' LEU . 1.5 mm? -99.99 141.0 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -132.0 111.08 11.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.73 20.06 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -75.25 124.2 26.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 41' ' ' SER . 60.8 mt -59.05 176.29 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -51.95 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -21.78 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.71 20.84 20.67 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.497 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.4 m -120.23 123.13 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.973 HG21 ' HA ' ' A' ' 117' ' ' PRO . 57.4 t -66.36 141.54 97.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.07 177.76 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -34.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 p30 169.97 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 t -85.18 0.67 51.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.8 77.52 0.25 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -52.98 -33.39 51.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.57 8.24 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.68 HD12 ' CB ' ' A' ' 33' ' ' LEU . 2.2 mm? 67.38 -69.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.07 41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB1' ' A' ' 78' ' ' ALA . 1.3 pp -157.51 170.07 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.647 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -123.52 134.76 53.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.726 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 92.2 t -124.71 141.46 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -119.56 112.67 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.38 33.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 64.2 10.79 43.04 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -69.4 118.96 12.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.601 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -84.38 109.51 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.4 p -76.16 -162.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.98 -0.91 57.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.91 8.52 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.27 11.25 75.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -94.5 155.57 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD21 ' SD ' ' A' ' 59' ' ' MET . 28.0 mt -113.01 141.14 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 3.0 t -153.97 171.22 19.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.726 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -115.44 126.49 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 32.9 m-85 -123.86 141.08 52.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.9 131.86 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.476 HG21 ' CG2' ' A' ' 55' ' ' VAL . 17.8 p -108.24 -21.59 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -163.88 143.69 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -143.16 107.12 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 9.7 tptt -53.63 92.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.19 108.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.83 11.61 2.87 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -113.57 -167.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 81' ' ' VAL . 9.2 mt -61.45 -67.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.812 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -71.32 58.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.52 ' OD2' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -171.99 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 76' ' ' SER . 68.3 p -79.86 -40.3 28.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.991 ' O ' HG21 ' A' ' 16' ' ' VAL . 10.7 m -101.51 -36.98 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -77.48 -42.19 18.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 64.73 38.5 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.923 HD21 HD13 ' A' ' 31' ' ' ILE . 2.6 mt -84.88 -179.93 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.647 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.2 mtp180 -159.4 157.41 26.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.549 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 85.96 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.06 -34.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.138 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.37 -179.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 40.6 tt0 -137.11 101.25 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 67' ' ' ALA . 2.9 p -72.16 115.25 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 124' ' ' SER . 51.2 mt -81.35 -57.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -115.21 162.73 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.73 ' CZ2' HG11 ' A' ' 119' ' ' VAL . 11.2 t-105 -141.67 95.27 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.11 16.74 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.87 -13.31 32.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -84.68 114.29 21.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 132.64 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.452 HD12 HG13 ' A' ' 90' ' ' VAL . 25.5 mt -97.21 -23.16 16.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -53.87 116.34 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.83 -33.07 5.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.78 142.84 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.7 p -81.31 172.51 13.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -52.49 -42.37 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -50.57 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -49.43 -61.09 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 109' ' ' ILE . 72.9 t -45.59 -49.69 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.69 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -43.42 -45.37 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 106' ' ' VAL . 73.0 mt -51.71 -75.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 93' ' ' TRP . 6.3 mt -41.57 -28.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.86 HD23 ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -69.51 -62.03 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.42 -20.03 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.7 p -104.81 26.18 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.86 ' HG3' HD23 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -70.47 -49.58 15.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -23.96 13.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.23 139.03 0.53 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.973 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.06 -29.32 8.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.586 HE21 HD11 ' A' ' 32' ' ' LEU . 3.8 pt20 -138.39 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.73 HG11 ' CZ2' ' A' ' 93' ' ' TRP . 42.0 t -152.89 114.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -96.01 111.25 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.578 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 6.4 mt -95.36 163.36 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.2 t -148.06 104.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.02 144.11 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.473 ' HB2' HD11 ' A' ' 91' ' ' LEU . 28.9 t -125.06 111.16 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.66 158.54 24.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.4 m-70 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.558 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.3 m -95.03 153.25 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -152.06 123.42 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.7 m95 -109.74 109.06 19.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -136.33 150.47 70.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.94 156.93 43.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -70.43 -176.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -51.48 54.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -67.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.97 -27.93 3.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -19.11 10.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 0.733 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -114.41 161.7 17.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -127.01 113.77 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 mm -92.22 114.89 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -104.54 138.05 13.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -125.33 126.34 44.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.699 HD13 HD21 ' A' ' 84' ' ' LEU . 3.4 mp -121.71 117.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.3 tm? -111.6 132.37 54.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 mm? -117.0 144.62 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -122.14 134.45 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -105.97 -44.88 4.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -38.48 115.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 43' ' ' PRO . 4.3 mt -55.68 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -41.57 90.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -44.36 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 50.53 0.28 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 m -155.53 139.35 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' A' ' 117' ' ' PRO . 76.5 t -77.41 128.75 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.93 -176.95 3.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.62 -41.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 48' ' ' ALA . 8.2 t70 178.38 93.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t -78.27 55.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 72.79 0.87 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.788 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.08 -38.98 54.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -88.44 10.78 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.4 mm? 69.78 -59.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 158.21 -22.89 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.918 HD13 HG23 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -96.2 167.01 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.731 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -118.51 119.62 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.76 HG22 HD11 ' A' ' 52' ' ' LEU . 45.1 t -103.34 146.55 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -134.96 112.89 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -103.03 -172.52 26.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.14 8.87 52.35 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -69.22 118.71 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.64 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.2 tpt -81.56 108.15 14.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.5 p -74.25 -174.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.98 -1.43 43.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.56 10.89 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 14.77 71.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 153.0 17.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.64 HD21 ' SD ' ' A' ' 59' ' ' MET . 24.2 mt -111.76 142.18 44.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.1 t -161.45 164.38 29.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -108.87 133.44 52.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 42.4 m-85 -129.85 143.64 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.918 HG23 HD13 ' A' ' 52' ' ' LEU . 57.0 mt -63.69 127.93 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 p -100.28 -47.23 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 145.63 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -138.33 111.13 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -54.48 150.03 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.0 102.96 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.25 32.13 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.524 ' N ' HG23 ' A' ' 80' ' ' THR . 58.4 p -125.63 163.21 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.6 mm? -40.59 -58.27 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.774 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -75.27 57.84 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.461 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 3.6 t70 177.96 -54.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 76' ' ' SER . 55.9 p -71.3 -35.24 71.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.558 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.9 m -115.84 -38.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.418 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -80.62 -32.21 34.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 94.7 m-70 48.29 39.24 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 52' ' ' LEU . 5.9 mt -70.52 -172.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' HG11 ' A' ' 72' ' ' VAL . 33.7 mmt-85 -157.98 149.57 16.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.651 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 94.53 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.62 -20.69 0.71 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.664 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.3 m-20 -60.43 -177.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 27.2 tt0 -137.01 102.02 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 98' ' ' LEU . 2.7 p -72.83 101.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 124' ' ' SER . 85.6 mt -66.87 -55.92 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -120.66 165.28 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.597 ' CD1' HG22 ' A' ' 109' ' ' ILE . 7.2 t-105 -144.14 103.99 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.638 ' OD1' HG13 ' A' ' 119' ' ' VAL . 9.0 m-20 62.43 15.77 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.98 -5.65 34.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -92.27 113.3 25.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.91 131.01 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 90' ' ' VAL . 23.5 mt -96.9 -21.97 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -57.89 114.01 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.83 -26.46 20.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.21 143.81 54.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -79.98 170.54 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -50.27 -43.51 53.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.38 -54.1 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -44.98 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.475 HG21 ' HA3' ' A' ' 56' ' ' GLY . 74.6 t -52.49 -45.89 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.58 -54.97 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -40.41 -47.66 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.597 HG22 ' CD1' ' A' ' 93' ' ' TRP . 5.2 mt -50.35 -75.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.578 HG12 ' CH2' ' A' ' 93' ' ' TRP . 3.2 mt -41.25 -28.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.799 HD23 ' HD2' ' A' ' 114' ' ' LYS . 0.4 OUTLIER -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' ILE . 2.7 mt-10 -66.12 -8.24 22.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.44 1.48 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.799 ' HD2' HD23 ' A' ' 111' ' ' LEU . 7.3 mttt -59.09 -49.66 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -33.49 4.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -40.27 135.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.03 -30.99 6.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.4 pt20 -131.11 172.66 11.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.638 HG13 ' OD1' ' A' ' 94' ' ' ASN . 13.2 t -148.64 107.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.7 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.2 mt -96.12 163.44 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 91' ' ' LEU . 21.2 t -147.66 102.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 88' ' ' ASP . 1.1 p -111.66 156.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.615 ' HB2' HD11 ' A' ' 91' ' ' LEU . 2.6 t -113.17 159.71 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.55 156.52 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.98 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -37.59 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 17' ' ' THR . 1.4 m -103.74 149.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -152.0 124.29 8.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.5 m95 -109.71 108.53 18.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -136.73 149.6 67.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 157.67 43.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.5 p -72.63 -177.06 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -50.11 -52.72 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -73.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.34 -32.53 2.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.8 -21.74 43.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -106.21 158.22 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -124.02 128.33 49.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.2 mm -106.61 112.33 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -105.16 134.17 11.92 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.52 130.0 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 84' ' ' LEU . 3.0 mp -126.72 114.61 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 33' ' ' LEU . 3.1 tm? -111.42 138.19 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.6 mm? -120.42 145.63 47.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -132.32 131.78 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -29.82 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -39.08 107.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 43' ' ' PRO . 6.1 mt -61.76 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.05 -39.63 75.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -35.74 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.66 52.51 3.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -133.76 8.29 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.3 t 61.52 135.0 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.661 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.05 170.06 21.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -48.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.39 79.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -50.87 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.75 89.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.84 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -53.12 -51.37 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.05 8.72 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER 69.75 -58.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 155.24 -21.23 0.56 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.797 HD21 HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -100.89 153.97 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.772 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -107.49 151.38 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.839 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 73.1 t -141.79 138.41 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.686 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.5 t -118.66 112.39 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.635 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.48 -175.56 32.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.81 18.18 59.14 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -77.75 117.87 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.634 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.3 tpt -80.77 110.11 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 64' ' ' ARG . 69.7 p -78.48 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.437 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.51 -31.18 37.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.56 21.48 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.43 ' O ' ' CE ' ' A' ' 59' ' ' MET . . . 59.73 18.93 47.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 60' ' ' THR . 3.2 mmt180 -90.45 152.78 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 0.77 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD21 ' SD ' ' A' ' 59' ' ' MET . 26.9 mt -112.39 136.65 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -155.68 154.3 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.839 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -99.98 122.13 42.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 50.3 m-85 -117.66 143.86 45.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.836 HG22 ' HA ' ' A' ' 86' ' ' PRO . 88.7 mt -64.4 131.44 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.686 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.3 p -104.52 -40.0 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.49 142.34 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.542 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p -136.3 113.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.08 142.22 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.38 105.69 17.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.51 23.29 4.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 80' ' ' THR . 0.4 OUTLIER -116.01 166.69 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.3 mt -43.37 -64.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.849 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -73.17 58.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.431 ' OD1' HG22 ' A' ' 72' ' ' VAL . 9.7 t70 -179.46 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 36.4 p -84.95 -40.22 17.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 33' ' ' LEU . 5.4 m -104.97 -39.69 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.11 -36.37 27.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 59.33 42.67 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.613 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 31' ' ' ILE . 7.0 mt -80.37 176.54 9.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.1 mtt85 -151.59 154.03 32.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.836 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.98 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.84 -18.24 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.661 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.8 m-20 -68.11 175.68 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 40.3 tt0 -129.36 103.12 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.746 HG13 HD12 ' A' ' 98' ' ' LEU . 4.9 p -73.3 100.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.844 HD11 ' CB ' ' A' ' 124' ' ' SER . 88.4 mt -64.61 -56.24 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.68 168.13 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 16.2 t-105 -145.93 93.49 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.2 t-20 77.0 20.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.0 52.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -87.34 112.48 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.94 131.4 46.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.746 HD12 HG13 ' A' ' 90' ' ' VAL . 23.7 mt -95.78 -22.66 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -54.88 116.08 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.52 -29.83 7.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.96 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -76.4 170.8 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -50.59 -42.77 56.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.57 -51.72 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.62 -49.03 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.635 HG21 ' HA3' ' A' ' 56' ' ' GLY . 70.1 t -58.41 -46.66 89.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -64.87 -55.07 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 112' ' ' GLU . 60.5 m-20 -43.12 -40.62 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 106' ' ' VAL . 41.8 mt -57.19 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.543 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -46.23 -45.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.572 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.7 tm? -60.67 -35.77 77.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.5 mm-40 -77.02 -35.1 57.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -92.4 25.17 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.84 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 5.9 mtpt -71.24 -51.44 10.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.1 Cg_endo -75.01 -21.21 16.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 1.1 mm-40 -42.38 142.31 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -31.54 6.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 7.0 pt20 -139.93 158.9 43.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.472 HG11 ' CE2' ' A' ' 93' ' ' TRP . 21.9 t -138.23 112.54 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.447 ' HB2' HD23 ' A' ' 32' ' ' LEU . 8.1 tt0 -96.79 106.05 18.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.64 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 5.1 mt -86.6 161.51 18.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 91' ' ' LEU . 26.3 t -147.66 103.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 88' ' ' ASP . 1.5 p -108.78 158.71 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.844 ' CB ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -124.2 130.54 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.1 161.0 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.613 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -34.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.2 m -107.61 143.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.83 126.09 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.592 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 89.0 m95 -114.11 109.37 18.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.9 mp0 -136.48 150.59 70.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 157.6 42.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 174.27 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -55.25 4.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.2 -56.08 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.1 -36.55 3.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.36 -34.65 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -95.86 151.02 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.66 115.02 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' GLN . 11.9 mm -90.14 117.7 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.4 139.94 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' C ' HD12 ' A' ' 31' ' ' ILE . 2.0 ttm-85 -121.38 139.91 52.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.901 HG21 HD11 ' A' ' 84' ' ' LEU . 2.9 mp -137.64 111.26 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -114.07 137.19 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.841 HD23 HD22 ' A' ' 50' ' ' LEU . 2.1 mm? -124.12 145.97 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -121.3 145.0 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.804 ' HB2' HG22 ' A' ' 42' ' ' VAL . 63.3 mttt -112.04 -48.66 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 56.3 mtt180 -35.78 114.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 43' ' ' PRO . 2.8 mt -63.91 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -37.5 77.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.09 -43.63 98.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.72 54.61 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -163.85 121.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.804 HG22 ' HB2' ' A' ' 35' ' ' LYS . 90.9 t -54.61 132.55 64.28 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -36.69 -45.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' A' ' 48' ' ' ALA . 6.9 t0 176.75 83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.75 67.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 53.68 69.55 1.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.794 ' HB1' ' HG3' ' A' ' 114' ' ' LYS . . . -46.74 -53.66 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.6 -16.94 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.841 HD22 HD23 ' A' ' 33' ' ' LEU . 1.7 mp 72.72 2.93 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.36 38.87 16.61 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -152.99 154.37 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.921 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.58 150.94 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 52' ' ' LEU . 99.1 t -141.39 138.03 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.66 112.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.467 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.19 -168.97 28.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 56.36 16.32 14.58 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.21 126.53 30.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.28 116.22 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.2 p -86.02 -173.54 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -82.51 -10.4 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -101.67 8.91 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 21.19 76.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -108.43 167.79 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD22 ' C ' ' A' ' 57' ' ' GLY . 28.2 mt -107.64 138.89 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.3 m -154.32 143.93 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.54 155.59 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -152.74 143.21 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.809 HG22 ' HA ' ' A' ' 86' ' ' PRO . 98.1 mt -70.45 124.43 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 p -95.71 -47.93 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 148.85 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -144.21 118.07 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -53.99 131.86 41.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -84.22 105.04 14.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.31 20.55 5.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 80' ' ' THR . 1.5 m -115.08 166.7 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.537 HD23 HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -39.14 -66.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.828 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.1 59.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.412 ' OD1' HG22 ' A' ' 72' ' ' VAL . 6.7 t70 177.92 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 22.3 p -85.7 -50.72 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 77' ' ' LEU . 8.8 m -95.98 -36.5 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.32 -43.62 9.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 80' ' ' THR . 99.0 m-70 66.46 45.64 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.901 HD11 HG21 ' A' ' 31' ' ' ILE . 3.6 mt -85.2 174.96 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -153.13 150.99 25.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.809 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.96 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.06 -24.44 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.49 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 1.2 m-20 -64.81 -176.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 40.4 tt0 -136.88 105.96 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.41 HG11 ' HE3' ' A' ' 93' ' ' TRP . 37.4 t -71.19 107.13 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 122' ' ' VAL . 66.5 mt -71.77 -59.27 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.12 165.5 13.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.867 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 13.6 t-105 -147.81 92.32 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' GLU . 2.1 t-20 71.72 35.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.49 -7.45 81.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -92.94 114.31 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.01 131.59 43.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.609 ' CD2' HD13 ' A' ' 109' ' ' ILE . 15.3 mt -95.55 -22.84 17.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.47 114.18 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.6 -28.27 12.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.76 143.96 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.3 p -78.61 171.42 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -55.06 -41.04 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.49 -43.19 73.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.5 -59.21 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 109' ' ' ILE . 39.8 t -45.81 -40.93 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.2 t80 -72.22 -53.02 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 112' ' ' GLU . 73.7 m-20 -45.39 -32.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.609 HD13 ' CD2' ' A' ' 98' ' ' LEU . 50.9 mt -67.73 -68.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.6 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.0 mt -49.18 -33.86 6.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.421 ' O ' HD22 ' A' ' 111' ' ' LEU . 2.4 tm? -77.18 -35.92 55.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.4 mm-40 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 m -104.26 25.04 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.794 ' HG3' ' HB1' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -74.45 -48.68 5.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -25.4 11.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.59 150.62 0.52 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.592 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.04 -38.28 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.553 ' HB2' HD21 ' A' ' 32' ' ' LEU . 4.7 pt20 -133.73 159.65 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.779 ' HB ' HD21 ' A' ' 50' ' ' LEU . 58.1 t -130.54 111.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.585 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -94.96 127.48 41.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.867 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 3.1 mp -118.18 162.04 18.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.7 t -147.62 119.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -116.65 144.71 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -126.06 111.98 15.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -114.95 159.76 20.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.035 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.49 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 -31.12 6.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m -108.27 146.54 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.58 125.46 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.431 ' CH2' HG21 ' A' ' 123' ' ' VAL . 95.1 m95 -112.48 109.42 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -135.45 150.22 71.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.05 157.5 42.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -70.7 -179.64 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -44.04 66.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -68.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.19 -21.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -23.02 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -111.68 152.2 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -116.28 113.07 22.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 mm -95.11 119.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.26 131.34 9.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 6.3 mtp180 -118.26 112.78 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.747 . . . . 0.0 110.345 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.864 HD13 HD21 ' A' ' 84' ' ' LEU . 1.7 mp -103.95 156.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.0 tm? -141.57 142.69 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.605 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.5 mt -133.63 141.41 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -122.18 142.89 49.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HB2' HG21 ' A' ' 42' ' ' VAL . 2.5 mtpm? -111.69 -27.66 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' HA ' ' N ' ' A' ' 42' ' ' VAL . 62.8 mtm180 -48.75 115.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 41' ' ' SER . 1.7 mt -52.43 -174.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.86 83.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -49.85 62.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.44 42.24 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.492 ' O ' HD12 ' A' ' 37' ' ' LEU . 3.5 m -173.51 136.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 109.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.4 p -87.63 143.72 34.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.04 164.18 33.79 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -37.39 -49.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.41 121.14 12.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -126.35 -71.77 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.35 68.42 0.53 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB1' ' HG3' ' A' ' 114' ' ' LYS . . . -56.04 -51.58 67.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.26 -0.42 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.2 mm? 68.74 -60.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 160.12 -23.33 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -95.96 164.63 12.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.88 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.48 121.6 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.799 HG22 HD11 ' A' ' 52' ' ' LEU . 44.7 t -107.66 149.89 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.418 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.7 t -133.89 112.47 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.458 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -100.64 -170.51 29.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.3 12.26 37.63 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.4 ttpt -72.19 119.51 16.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.65 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -83.51 114.51 21.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.4 p -82.34 -167.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -83.31 -13.93 54.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.22 14.19 30.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.42 16.99 61.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -96.16 160.71 14.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.65 HD21 ' SD ' ' A' ' 59' ' ' MET . 35.9 mt -115.38 140.12 49.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -157.22 160.88 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -106.81 124.61 49.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 22.3 m-85 -121.47 142.61 49.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 86' ' ' PRO . 68.5 mt -62.72 139.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.418 HG21 ' CG2' ' A' ' 55' ' ' VAL . 37.0 p -112.19 -46.36 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.77 143.88 23.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.566 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -135.85 111.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -54.35 145.96 16.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 104.52 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.25 26.8 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 80' ' ' THR . 56.1 p -123.74 170.84 10.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.605 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.4 mm? -41.07 -69.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.613 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -68.82 61.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . 7.6 t70 -178.93 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 83' ' ' HIS . 60.9 p -73.03 -28.89 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.376 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 77' ' ' LEU . 15.3 m -117.45 -40.0 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.51 -35.63 22.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.445 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.6 m-70 50.61 32.54 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.591 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.864 HD21 HD13 ' A' ' 31' ' ' ILE . 3.0 mt -67.23 -170.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HA ' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -158.47 149.86 16.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.775 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 93.5 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -25.43 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -60.68 -179.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.5 tt0 -137.09 102.36 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 98' ' ' LEU . 4.3 p -74.65 113.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.565 HD11 ' CB ' ' A' ' 124' ' ' SER . 73.6 mt -79.87 -56.89 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 12.7 mt-10 -114.59 163.79 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.696 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 29.1 t-105 -140.55 92.9 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 74.01 12.01 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.12 -15.63 13.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -81.6 116.01 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.92 132.17 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.538 HD13 HG13 ' A' ' 106' ' ' VAL . 21.1 mt -99.49 -21.43 15.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 91' ' ' LEU . 6.5 mt-30 -57.94 112.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.46 -35.18 4.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -52.07 151.0 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.4 p -86.34 173.78 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -53.83 -50.0 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.91 -47.65 84.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.515 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 4.3 mt-10 -50.99 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.664 ' HA ' HD12 ' A' ' 109' ' ' ILE . 89.9 t -42.8 -51.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -58.85 -61.24 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -42.16 -48.97 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 106' ' ' VAL . 43.9 mt -47.72 -62.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.552 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.6 mt -51.06 -36.2 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.537 HD12 ' HD3' ' A' ' 114' ' ' LYS . 3.4 tp -67.85 -27.23 66.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.7 mt-10 -81.28 -12.49 59.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.08 11.21 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.645 ' HG3' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -64.47 -50.92 63.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -22.66 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 3.7 mt-10 -55.67 138.88 69.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.501 ' HA ' HG11 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.95 -35.91 2.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 111.049 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.4 pt20 -132.84 167.34 20.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.625 HG12 ' CD1' ' A' ' 121' ' ' LEU . 55.9 t -141.86 118.74 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -101.16 109.7 21.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.696 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 6.8 mp -92.67 165.42 12.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.19 109.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.431 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.53 153.97 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.565 ' CB ' HD11 ' A' ' 91' ' ' LEU . 12.0 t -143.28 114.6 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 157.19 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.0 -33.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.596 HG21 ' O ' ' A' ' 81' ' ' VAL . 23.7 t -102.45 138.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.74 129.47 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 87.0 m95 -118.7 108.91 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -134.78 152.38 77.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.97 157.63 42.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -72.05 -176.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.8 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.05 -70.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.67 -36.9 1.84 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.44 -23.6 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -106.12 150.85 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.97 119.48 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.56 115.02 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.559 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -108.66 138.7 14.85 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.097 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -123.37 123.46 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.587 HD13 HD21 ' A' ' 84' ' ' LEU . 4.1 mp -117.64 114.6 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 33' ' ' LEU . 3.0 tm? -111.78 136.18 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.638 ' CG ' HD12 ' A' ' 50' ' ' LEU . 2.6 mm? -120.06 145.83 46.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.59 127.57 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -31.85 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -38.22 111.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 43' ' ' PRO . 3.1 mt -63.93 -170.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -38.33 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -34.29 61.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.11 52.79 3.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -130.46 6.74 4.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 8.1 t 61.26 133.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.02 173.99 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -44.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 85.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.02 88.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.09 88.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.982 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.34 -49.39 61.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.52 15.94 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD12 ' CG ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 69.32 -60.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 166.71 -29.22 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -98.29 165.97 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.664 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -111.21 143.5 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.579 ' CG2' HD21 ' A' ' 52' ' ' LEU . 88.8 t -128.21 142.44 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.44 114.02 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.826 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -99.03 -166.31 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.59 18.44 10.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -73.22 122.52 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.47 110.74 13.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.4 p -76.93 -169.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -84.86 -11.12 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.55 16.85 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.1 32.86 85.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.5 mtt-85 -111.0 164.01 13.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -112.8 139.52 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -161.82 156.8 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.34 147.16 27.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 43.4 m-85 -144.25 145.77 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.747 HG22 ' HA ' ' A' ' 86' ' ' PRO . 97.0 mt -69.59 124.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -93.1 -48.77 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -148.5 154.38 39.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 29.8 t -126.85 135.55 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -72.85 119.23 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 103.43 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.65 41.16 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.53 166.65 22.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 81' ' ' VAL . 8.0 mt -40.62 -64.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.904 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.52 61.68 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t0 176.4 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.6 p -82.84 -39.72 21.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.596 ' O ' HG21 ' A' ' 16' ' ' VAL . 12.1 m -108.42 -39.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.14 -37.05 22.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 62.44 15.8 8.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.558 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.904 HD12 ' HB1' ' A' ' 78' ' ' ALA . 17.4 mt -49.99 167.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -149.62 152.39 34.89 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.747 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.06 2.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.559 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.5 m-20 -80.64 155.16 26.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 48.9 tt0 -107.96 104.21 13.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 98' ' ' LEU . 3.2 p -70.73 95.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 122' ' ' VAL . 16.3 mt -56.83 -59.78 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 38.0 mt-10 -119.11 166.24 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.579 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 12.2 t-105 -142.55 92.52 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 5.0 t-20 78.75 -2.47 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.12 -15.73 5.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.963 ' HB3' HD13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -78.55 126.25 30.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 tp -78.46 119.71 22.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.796 HD12 HG13 ' A' ' 90' ' ' VAL . 10.0 mt -86.52 -14.62 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.546 ' NE2' HD22 ' A' ' 91' ' ' LEU . 67.6 mt-30 -64.41 112.13 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.83 -20.91 32.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -55.89 151.99 10.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -94.97 157.34 15.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -40.23 -46.76 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.8 -50.05 75.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.586 ' OE2' HD11 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -50.45 -66.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.826 HG21 ' HA3' ' A' ' 56' ' ' GLY . 59.1 t -40.22 -54.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.04 -60.63 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' GLU . 24.5 m-20 -46.83 -54.41 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.963 HD13 ' HB3' ' A' ' 96' ' ' ARG . 92.8 mt -42.87 -64.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.8 mt -50.78 -36.12 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.647 HD12 ' HD3' ' A' ' 114' ' ' LYS . 5.5 tp -70.0 -28.98 65.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.7 mm-40 -76.69 -20.4 56.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 15.62 25.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.982 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 7.1 mtpt -67.28 -51.9 32.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.5 Cg_endo -74.99 -30.11 7.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 142.99 0.58 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.8 11.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 7.6 pt20 -140.63 167.0 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.514 ' HB ' HD11 ' A' ' 50' ' ' LEU . 15.5 t -144.24 111.2 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 94' ' ' ASN . 5.6 tt0 -96.12 108.11 20.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.579 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 4.0 mt -90.81 163.19 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.1 t -147.99 104.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 88' ' ' ASP . 0.5 OUTLIER -107.01 160.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 25.7 t -139.86 129.58 24.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.14 155.8 48.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -31.24 6.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.752 HG21 ' O ' ' A' ' 81' ' ' VAL . 38.2 t -105.02 141.26 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -153.16 131.39 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.3 m95 -123.89 109.01 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 48.6 mm-40 -140.13 153.5 69.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.1 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -71.07 -173.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.944 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -40.15 78.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.8 -72.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.99 -23.96 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.11 -28.87 69.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -103.46 161.18 14.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -127.18 107.07 9.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.2 mm -84.25 124.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -126.87 134.67 8.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.05 150.43 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.743 HD13 HD21 ' A' ' 84' ' ' LEU . 2.6 mp -143.21 117.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.67 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -116.22 133.98 55.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.055 HD23 HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -118.47 145.51 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -125.95 97.94 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.36 26.13 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -83.94 157.58 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 41' ' ' SER . 16.3 mt -82.94 -172.89 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -67.42 -52.35 40.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -52.04 -41.09 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.01 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.86 ' O ' HD12 ' A' ' 37' ' ' LEU . 16.5 m -140.52 122.39 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.591 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -52.15 140.01 33.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 -172.12 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.515 1.798 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -36.24 -44.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -151.86 -67.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 78.03 40.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.043 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 48.54 68.44 1.28 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' HD3' ' A' ' 114' ' ' LYS . . . -48.3 -24.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -68.21 -6.17 22.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.055 HD22 HD23 ' A' ' 33' ' ' LEU . 2.0 mp 69.22 -60.37 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 145.01 40.77 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -158.81 150.48 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.926 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.64 133.06 53.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.807 HG22 HD11 ' A' ' 52' ' ' LEU . 25.1 t -118.92 146.43 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.2 t -130.71 112.56 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.28 -166.72 24.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.596 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 52.84 19.85 7.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.1 ttpt -77.32 123.1 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.82 115.63 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -91.81 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -86.68 -21.64 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.4 p -80.33 -6.51 58.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.51 22.42 62.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -117.94 168.26 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD22 ' C ' ' A' ' 57' ' ' GLY . 31.0 mt -106.82 135.19 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -143.76 147.32 34.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.15 133.44 42.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 15.4 m-85 -133.25 145.59 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.843 HG22 ' HA ' ' A' ' 86' ' ' PRO . 87.9 mt -68.18 138.13 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.497 HG21 ' CG2' ' A' ' 55' ' ' VAL . 65.7 p -110.4 -45.09 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.15 146.14 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -141.0 114.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -53.97 129.38 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.66 104.62 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 80' ' ' THR . . . 115.72 22.99 4.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.762 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -116.56 177.62 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.47 -60.87 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.914 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -75.06 58.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -177.71 -53.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 76' ' ' SER . 32.6 p -76.06 -41.1 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.752 ' O ' HG21 ' A' ' 16' ' ' VAL . 13.7 m -107.81 -38.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -77.66 -37.18 31.14 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 54.37 43.18 30.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.914 HD12 ' HB1' ' A' ' 78' ' ' ALA . 5.2 mt -80.37 -174.54 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -157.86 147.62 15.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.843 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.04 86.9 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.96 -30.02 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.492 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.7 m-20 -54.76 -176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.525 ' HG3' ' CD1' ' A' ' 68' ' ' PHE . 33.3 tt0 -137.96 101.37 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.484 HG13 HD12 ' A' ' 98' ' ' LEU . 3.5 p -73.34 116.44 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 HE21 ' A' ' 99' ' ' GLN . 49.3 mt -84.49 -58.03 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -112.99 160.72 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.772 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 5.8 t-105 -144.83 92.25 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.4 t-20 71.85 27.16 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.33 -13.37 61.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -83.81 114.85 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 131.04 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.801 ' CD2' HD13 ' A' ' 109' ' ' ILE . 14.9 mt -98.45 -21.17 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.55 HE21 HD22 ' A' ' 91' ' ' LEU . 12.5 mt-30 -54.42 114.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.49 -23.51 18.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.17 138.95 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.2 p -76.19 169.85 17.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.6 -38.32 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.89 -44.74 54.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -55.09 -50.97 67.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 109' ' ' ILE . 47.7 t -58.15 -39.79 74.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.99 -47.6 61.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' GLU . 27.3 m-80 -49.43 -33.05 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.801 HD13 ' CD2' ' A' ' 98' ' ' LEU . 10.8 mt -66.24 -72.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.579 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.7 mt -46.89 -36.56 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.28 -37.79 68.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.1 mm-40 -73.56 -27.33 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.8 m -92.25 24.59 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -70.53 -50.4 14.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.97 -27.59 9.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.69 144.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.591 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.03 -32.89 4.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.614 ' HB2' HD21 ' A' ' 32' ' ' LEU . 13.6 pt20 -139.32 162.18 35.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.946 ' HB ' HD21 ' A' ' 50' ' ' LEU . 93.0 t -133.73 120.39 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.591 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -105.73 132.0 52.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.772 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 5.0 mp -118.87 163.39 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.6 t -145.54 111.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -110.35 143.29 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.459 ' HB2' HD11 ' A' ' 91' ' ' LEU . 44.0 t -111.89 109.46 19.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.57 162.34 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.655 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -22.37 14.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -114.26 138.52 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.96 133.64 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CH2' HG21 ' A' ' 123' ' ' VAL . 91.8 m95 -130.07 109.2 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.477 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 29.4 mm-40 -136.85 153.43 75.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.537 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.15 41.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.6 p -79.04 -176.68 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -48.91 -48.96 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.7 -66.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.18 -32.1 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.63 -37.21 39.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -99.32 140.51 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -107.95 111.91 24.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' GLN . 7.9 mm -88.25 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.34 134.49 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 104.25 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 84' ' ' LEU . 2.8 mp -92.04 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 33' ' ' LEU . 1.7 tm? -137.86 130.13 29.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.947 ' HB2' HG13 ' A' ' 119' ' ' VAL . 21.7 mt -121.52 145.11 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -121.27 169.95 10.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ARG . 6.8 mttp -137.42 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' NH1' ' CA ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -38.16 132.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 43' ' ' PRO . 4.0 mt -70.75 -172.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -37.69 84.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.29 -43.26 99.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' NH1' ' A' ' 36' ' ' ARG . . . 115.54 55.52 0.36 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -164.48 139.99 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG21 ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -75.34 126.61 87.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.623 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.92 177.95 7.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -44.65 -28.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.36 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -73.56 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.67 88.81 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -60.52 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.63 4.96 33.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.85 ' HG ' HD13 ' A' ' 33' ' ' LEU . 2.2 mm? 68.76 -61.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.23 -30.15 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.825 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -95.95 168.17 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 109.232 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.825 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.3 138.13 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG2' HD21 ' A' ' 52' ' ' LEU . 87.2 t -114.24 145.91 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.707 HG23 HG21 ' A' ' 70' ' ' THR . 3.5 t -129.56 112.8 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.42 -165.63 24.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.449 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 54.14 18.38 9.24 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -75.56 126.28 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.96 115.45 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -86.41 -167.64 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.99 5.5 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.87 9.79 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.28 20.53 73.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -109.56 174.92 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 57' ' ' GLY . 39.8 mt -112.73 142.02 45.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 78.4 m -152.5 153.4 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -150.36 145.0 25.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.776 HG22 ' HA ' ' A' ' 86' ' ' PRO . 98.2 mt -67.99 130.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.707 HG21 HG23 ' A' ' 55' ' ' VAL . 18.0 p -98.96 -51.53 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -148.03 144.17 27.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -135.25 112.15 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -53.99 138.95 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.63 103.37 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.06 27.73 2.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.91 -175.15 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.653 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.0 mm? -55.46 -58.31 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.787 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -79.08 64.44 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.422 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 16.5 t70 178.01 -52.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.482 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 23.8 p -90.12 -24.31 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.7 -37.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -91.58 -36.72 6.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 95.1 m-70 57.02 36.18 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.63 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.787 HD12 ' HB1' ' A' ' 78' ' ' ALA . 8.3 mt -70.53 -170.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -159.16 142.9 10.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.776 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.29 -25.24 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.77 167.65 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 50.8 tt0 -115.71 107.31 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 43.7 t -71.16 110.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.618 HD11 ' CB ' ' A' ' 124' ' ' SER . 87.4 mt -73.9 -57.34 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -129.69 159.36 36.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 121' ' ' LEU . 5.1 t-105 -135.26 96.43 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.7 t-20 73.46 20.06 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.45 46.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.582 ' HB3' HD13 ' A' ' 109' ' ' ILE . 15.6 mmt-85 -90.09 112.44 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 133.37 48.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -96.11 -24.41 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.28 113.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.19 -31.4 7.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.103 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.33 141.61 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.4 p -73.29 173.81 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.07 -35.46 75.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -76.57 -43.53 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -54.65 -59.87 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.542 HG21 ' HA3' ' A' ' 56' ' ' GLY . 70.7 t -47.64 -46.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.44 -52.23 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 112' ' ' GLU . 37.1 m-20 -49.89 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.582 HD13 ' HB3' ' A' ' 96' ' ' ARG . 96.9 mt -47.9 -65.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.556 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.4 mt -52.12 -27.37 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.482 HD12 ' HD3' ' A' ' 114' ' ' LYS . 3.3 tp -77.6 -27.66 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ILE . 0.9 OUTLIER -81.75 -13.88 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.405 ' HG ' ' HE1' ' A' ' 93' ' ' TRP . 1.9 m -97.35 12.9 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -65.74 -52.85 39.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -32.1 5.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.28 146.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.558 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 -39.15 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -131.1 -177.5 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.947 HG13 ' HB2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -154.54 106.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.687 HD22 ' CE3' ' A' ' 93' ' ' TRP . 24.3 mt -91.9 164.69 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 2.8 t -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.529 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -131.47 153.22 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.618 ' CB ' HD11 ' A' ' 91' ' ' LEU . 2.8 t -144.14 111.52 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.95 162.85 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.06 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.433 HG12 HG23 ' A' ' 31' ' ' ILE . 2.8 m -102.71 144.18 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.12 122.51 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.543 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 97.0 m95 -112.58 109.35 18.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -135.74 149.61 69.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.493 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 156.1 43.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.1 p -69.42 -170.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -45.68 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -72.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.19 -30.96 2.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -54.91 -29.75 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -101.63 159.36 15.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -125.97 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' GLN . 19.7 mm -92.73 117.28 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -114.03 136.6 13.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.99 115.1 19.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.818 HD13 HD21 ' A' ' 84' ' ' LEU . 4.7 mp -99.02 158.81 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.4 tm? -141.19 140.73 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 77' ' ' LEU . 5.2 mt -133.96 142.38 47.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -124.28 153.3 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -118.53 -41.74 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -40.6 115.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.82 174.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -49.56 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.78 -45.52 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 45.04 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.4 p -145.07 131.88 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.95 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 117' ' ' PRO . 73.0 t -74.56 132.21 78.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.42 18.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.66 -33.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 103.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.61 43.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 87.62 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -52.74 -52.64 55.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.5 13.08 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 67.1 -73.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.56 39.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -157.67 157.57 33.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.867 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -105.87 135.21 47.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.753 ' CG2' HD11 ' A' ' 52' ' ' LEU . 89.8 t -124.51 146.94 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 103' ' ' PHE . 2.4 p -135.66 112.71 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.68 -172.63 26.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.783 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 62.8 11.41 36.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.8 OUTLIER -72.46 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -76.24 114.38 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -84.84 -164.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.68 -20.7 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 9.03 36.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.037 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.76 19.03 72.89 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -101.06 165.93 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.783 HD22 ' O ' ' A' ' 57' ' ' GLY . 59.2 mt -115.78 137.77 51.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.34 158.42 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.325 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 106' ' ' VAL . . . -90.95 133.37 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' A' ' 89' ' ' GLU . 80.8 m-85 -122.53 145.87 47.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.751 HG22 ' HA ' ' A' ' 86' ' ' PRO . 89.7 mt -84.62 122.41 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.707 HG21 ' HE2' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -91.14 -45.91 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.16 160.66 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 40.8 t -138.28 117.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' GLY . 3.9 tptm -54.54 141.08 32.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 102.84 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.18 44.73 1.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.595 ' N ' HG23 ' A' ' 80' ' ' THR . 6.5 m -137.39 172.95 12.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.4 mm? -42.86 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.612 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -68.86 63.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 77' ' ' LEU . 4.3 t70 175.24 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 76' ' ' SER . 59.2 p -76.12 -27.88 57.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG23 HD23 ' A' ' 33' ' ' LEU . 5.3 m -118.89 -40.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 -45.02 8.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 69.56 9.42 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.818 HD21 HD13 ' A' ' 31' ' ' ILE . 9.3 mt -46.61 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -149.47 153.69 37.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.751 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 107.63 2.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.47 -27.01 1.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.523 ' HB3' HG11 ' A' ' 123' ' ' VAL . 0.6 OUTLIER -67.71 -178.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 42.4 tt0 -135.26 110.12 8.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 21.4 t -75.37 123.8 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 124' ' ' SER . 12.5 mt -95.05 -59.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 122' ' ' VAL . 38.3 mt-10 -113.65 148.77 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.916 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 7.2 t-105 -136.06 93.87 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 74.28 17.33 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.32 -10.83 43.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -84.26 113.64 21.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 tp -66.72 132.87 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 106' ' ' VAL . 35.8 mt -100.76 -20.96 15.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -60.0 117.1 4.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.56 -33.11 5.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.04 144.09 55.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 102' ' ' THR . 6.1 p -76.14 175.8 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CD1' HG23 ' A' ' 55' ' ' VAL . 89.7 t80 -58.74 -48.18 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.42 -42.12 99.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -60.33 -55.42 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 67' ' ' ALA . 36.3 t -53.56 -40.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.8 -54.23 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -42.35 -41.51 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.494 HD13 ' CD2' ' A' ' 98' ' ' LEU . 4.7 mt -55.12 -67.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.1 mt -46.01 -27.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.506 HD23 ' CD ' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -74.79 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.37 -21.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.18 25.01 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 5.3 mtpt -73.35 -50.94 6.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.97 -25.1 12.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -40.9 141.88 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.462 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.98 -31.49 6.19 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pt20 -142.0 170.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.683 HG12 ' CD1' ' A' ' 121' ' ' LEU . 3.0 t -144.04 122.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -104.49 106.13 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.916 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 1.9 mp -98.78 161.38 13.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.748 HG22 ' H ' ' A' ' 92' ' ' GLU . 1.3 m -145.77 139.85 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -134.39 142.72 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.658 ' HB2' HD11 ' A' ' 91' ' ' LEU . 3.4 t -106.23 125.84 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.4 163.38 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 23.3 m-70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.02 -40.14 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 m -100.65 143.85 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.44 123.93 10.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 86.6 m95 -109.55 109.32 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.7 mp0 -133.68 150.4 74.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 159.41 41.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -76.47 172.7 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -51.0 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -64.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.77 -30.28 3.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -51.62 -24.48 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' NH2' ' HB3' ' A' ' 126' ' ' SER . 3.9 mmt180 -111.99 155.29 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -120.79 119.08 31.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' GLN . 15.9 mm -94.54 110.6 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.26 135.62 12.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' C ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 135.41 54.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.754 HD13 HD21 ' A' ' 84' ' ' LEU . 4.0 mp -131.52 111.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 15' ' ' PRO . 5.3 tp -108.8 116.3 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.782 HD23 HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -103.71 145.43 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 118' ' ' GLN . 12.7 t-20 -136.62 123.67 21.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.82 -28.67 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -39.0 106.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 41' ' ' SER . 3.4 mt -51.2 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -49.86 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.16 -37.37 54.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.65 48.4 0.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 37' ' ' LEU . 45.1 m -155.23 136.01 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.815 HG21 ' HA ' ' A' ' 117' ' ' PRO . 95.4 t -75.78 135.87 70.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.41 -33.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.84 78.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -53.08 -56.02 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 178.5 70.43 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.158 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.488 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -49.3 -46.19 46.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.98 -14.92 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.969 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.782 HD22 HD23 ' A' ' 33' ' ' LEU . 1.8 mp 68.85 7.26 6.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.05 44.78 44.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -157.71 155.63 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.697 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.8 144.71 43.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.726 HG23 HD11 ' A' ' 52' ' ' LEU . 57.3 t -134.82 143.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.673 HG23 ' CE1' ' A' ' 103' ' ' PHE . 5.7 p -124.47 111.09 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.49 -174.62 32.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.775 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 57.96 14.65 17.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.48 119.06 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.494 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -76.88 112.51 13.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 p -83.37 -166.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.461 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.24 -8.09 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.22 -4.39 35.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.13 7.97 84.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.74 158.42 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 57' ' ' GLY . 43.4 mt -107.59 144.14 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -158.61 152.54 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.707 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.28 135.48 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 96.3 m-85 -127.22 138.09 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 86' ' ' PRO . 72.0 mt -74.53 124.81 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.455 HG21 ' HE2' ' A' ' 53' ' ' LYS . 21.8 p -94.14 -45.05 7.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -151.21 155.9 39.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 47.8 t -131.38 130.83 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -61.41 112.53 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 104.43 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.7 45.75 1.74 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -139.49 170.24 16.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.3 mt -43.76 -65.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.589 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.68 61.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t0 176.95 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.528 ' HG1' ' H ' ' A' ' 80' ' ' THR . 29.1 p -87.5 -41.47 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.505 HG23 ' CD1' ' A' ' 33' ' ' LEU . 4.9 m -103.51 -37.38 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.27 -36.18 24.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 80' ' ' THR . 87.7 m-70 64.36 18.59 11.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.754 HD21 HD13 ' A' ' 31' ' ' ILE . 12.7 mt -59.72 166.91 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 158.73 32.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.77 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.98 111.59 3.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.82 -20.85 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CG ' HG21 ' A' ' 123' ' ' VAL . 1.2 m-20 -70.96 175.11 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 91' ' ' LEU . 43.2 tt0 -129.81 104.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.676 HG13 ' HB3' ' A' ' 67' ' ' ALA . 2.4 p -73.66 100.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -62.79 -61.59 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.851 ' OE2' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -113.18 175.01 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CH2' HD13 ' A' ' 50' ' ' LEU . 12.2 t-105 -150.79 94.72 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 107.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.46 16.2 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.87 -7.61 35.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 12.8 mmt-85 -89.64 125.01 35.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.851 HD12 ' OE2' ' A' ' 92' ' ' GLU . 1.7 tp -75.47 128.46 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.453 HD22 HG13 ' A' ' 106' ' ' VAL . 50.9 mt -95.5 -17.94 21.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -62.5 119.82 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.95 -41.49 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 143.6 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 106' ' ' VAL . 6.8 p -75.33 174.18 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.673 ' CE1' HG23 ' A' ' 55' ' ' VAL . 73.3 t80 -59.02 -48.16 82.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.28 -41.81 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.17 -51.75 67.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 102' ' ' THR . 92.7 t -52.31 -43.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 2.9 t80 -63.01 -47.13 84.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -51.63 -33.2 32.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 106' ' ' VAL . 25.6 mt -68.98 -52.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.548 HG23 ' CZ2' ' A' ' 93' ' ' TRP . 5.9 mt -63.23 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.535 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.6 tm? -71.95 -32.5 67.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.5 -22.98 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -94.42 24.75 4.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 4.5 mtpp -72.77 -48.08 8.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.93 -4.56 15.59 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 5.9 mt-10 -72.64 135.07 81.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.815 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.96 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 16.0 mt-30 -122.24 174.1 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.615 ' HB ' HD21 ' A' ' 50' ' ' LEU . 60.0 t -155.18 103.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -92.15 107.9 19.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.441 ' CD2' HG12 ' A' ' 119' ' ' VAL . 6.9 mt -93.22 162.25 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 91' ' ' LEU . 22.5 t -147.71 111.57 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -111.57 160.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.458 ' HB3' HD21 ' A' ' 91' ' ' LEU . 12.3 t -140.95 107.2 5.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.23 165.44 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.402 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.29 2.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 31' ' ' ILE . 3.4 m -103.28 154.38 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.79 120.23 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.433 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.1 m95 -106.78 109.41 21.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -133.69 150.84 75.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.606 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 158.17 42.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.7 p -70.77 -173.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -43.74 85.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.82 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.55 -21.86 3.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.577 1.173 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -65.18 -35.45 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -95.13 164.99 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -129.83 119.02 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mm -98.26 111.0 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.3 146.57 16.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.9 mtm180 -128.54 127.86 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.626 HG23 ' HA2' ' A' ' 82' ' ' GLY . 3.7 mp -119.11 108.2 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.83 123.25 35.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.87 ' CB ' HG13 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -110.89 122.77 48.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -98.55 168.11 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.8 mtpp -142.66 -46.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.1 mtt180 -37.99 111.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.48 -139.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -43.91 21.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -26.6 60.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.43 53.9 5.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -125.86 1.59 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 ' HA ' ' A' ' 117' ' ' PRO . 40.5 t 59.96 129.23 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -75.02 158.55 42.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -52.84 9.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.86 -77.41 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 7.4 p 69.32 57.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.9 75.56 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -56.75 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.3 11.5 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.836 HD11 HG11 ' A' ' 119' ' ' VAL . 1.6 mm? 68.58 -61.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.94 -31.74 0.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.982 HD13 HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -96.16 171.35 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.712 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.85 107.07 12.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 52' ' ' LEU . 47.9 t -89.55 140.53 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.728 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.4 t -122.36 112.54 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.16 -175.45 28.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 62.73 12.01 39.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.98 130.55 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.781 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.2 tpt -91.67 111.89 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.3 p -80.52 -162.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.61 0.41 56.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.99 6.71 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.43 6.36 70.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.85 160.26 15.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD21 ' SD ' ' A' ' 59' ' ' MET . 43.9 mt -112.58 143.51 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.1 t -160.45 159.38 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -102.58 127.86 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 44.9 m-85 -124.03 142.24 51.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.982 HG23 HD13 ' A' ' 52' ' ' LEU . 76.5 mt -64.77 133.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.728 HG21 ' CG2' ' A' ' 55' ' ' VAL . 18.5 p -104.69 -51.51 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -144.55 149.99 36.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 78' ' ' ALA . 61.7 t -126.83 118.68 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 132.58 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 102.63 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 47.48 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 80' ' ' THR . 50.4 m -138.6 164.35 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 3.9 mm? -39.16 -61.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.687 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -72.11 59.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 176.42 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 76' ' ' SER . 24.0 p -76.78 -42.25 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 33' ' ' LEU . 16.1 m -107.65 -40.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.626 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -79.32 -42.06 12.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.551 ' CE1' ' O ' ' A' ' 80' ' ' THR . 53.2 m-70 65.3 10.96 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.597 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD21 HD13 ' A' ' 31' ' ' ILE . 8.2 mt -48.21 173.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -153.64 156.12 32.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.594 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.97 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.1 -25.58 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -179.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.25 107.48 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.69 HG13 HD12 ' A' ' 98' ' ' LEU . 2.8 p -74.46 101.77 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 124' ' ' SER . 49.4 mt -64.0 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -115.44 162.58 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CD2' ' CD2' ' A' ' 121' ' ' LEU . 5.7 t-105 -141.16 96.32 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.8 t-20 70.39 25.72 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.49 -9.14 60.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.477 ' HB3' HD13 ' A' ' 109' ' ' ILE . 13.9 mmt180 -88.77 118.77 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.3 132.93 42.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.69 HD12 HG13 ' A' ' 90' ' ' VAL . 14.6 mt -98.68 -22.22 16.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -57.22 114.08 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.44 -27.32 15.94 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.92 144.13 49.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.5 p -79.31 172.15 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.401 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 60.2 t80 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.24 -50.79 59.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.47 -60.56 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.557 HG21 ' HA3' ' A' ' 56' ' ' GLY . 74.0 t -46.05 -51.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -58.47 -60.72 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.1 m-80 -40.2 -50.03 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 96' ' ' ARG . 90.9 mt -47.96 -65.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -46.87 -40.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.574 HD12 ' HD3' ' A' ' 114' ' ' LYS . 10.3 tp -67.85 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.3 mt-10 -74.39 -5.05 40.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -112.77 12.88 19.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.574 ' HD3' HD12 ' A' ' 111' ' ' LEU . 22.0 mtpt -65.85 -51.98 44.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -40.94 145.03 0.58 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.484 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.03 -27.63 9.81 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -146.84 176.86 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.87 HG13 ' CB ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -149.55 111.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.06 102.89 14.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.629 ' CD2' ' CD2' ' A' ' 93' ' ' TRP . 16.4 mt -93.11 165.08 13.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.7 t -143.55 126.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.457 ' CG2' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -118.55 146.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.547 ' HB2' HD11 ' A' ' 91' ' ' LEU . 32.4 t -125.33 127.09 46.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -137.98 162.02 35.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.662 ' CE1' ' CG2' ' A' ' 17' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -23.67 13.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.766 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.75 142.27 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.662 ' CG2' ' CE1' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -151.54 121.34 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.711 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 88.2 m95 -111.21 109.59 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.94 150.93 74.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.53 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 p -64.57 -175.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -52.87 57.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -74.85 -81.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.78 46.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.15 -41.91 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -107.57 142.44 37.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.28 107.35 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.8 mm -85.32 122.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -117.62 118.36 4.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -111.46 107.69 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.711 HD11 ' CZ2' ' A' ' 18' ' ' TRP . 2.7 mp -102.94 156.32 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.794 HD13 ' N ' ' A' ' 33' ' ' LEU . 2.9 tm? -141.56 143.58 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.882 HD13 HD12 ' A' ' 50' ' ' LEU . 3.2 mt -134.47 145.26 48.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -133.42 132.48 41.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HG2' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -115.86 -10.5 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -41.06 132.03 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 43' ' ' PRO . 20.0 mt -76.88 -172.18 2.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -58.52 -31.41 67.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.09 -31.78 27.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.43 48.44 4.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' VAL . 16.2 m -128.67 5.22 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG22 ' HG2' ' A' ' 35' ' ' LYS . 36.8 t 60.34 132.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.683 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 164.19 33.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -38.48 -51.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.93 107.57 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -103.83 -70.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.11 80.11 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.81 -60.09 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.26 3.84 53.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.882 HD12 HD13 ' A' ' 33' ' ' LEU . 1.8 mm? 68.75 6.78 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.7 -13.13 65.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -103.17 163.39 12.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.833 ' N ' HD12 ' A' ' 52' ' ' LEU . 80.1 tttt -120.45 142.9 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.75 ' CG2' HD11 ' A' ' 52' ' ' LEU . 75.6 t -131.56 136.62 56.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.859 HG23 HG21 ' A' ' 70' ' ' THR . 3.5 t -114.66 113.05 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.61 -167.7 32.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 53.58 18.93 8.36 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.8 ttpt -71.1 120.8 17.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.25 115.86 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.467 ' HG1' ' C ' ' A' ' 64' ' ' ARG . 18.3 p -85.12 -171.01 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -86.16 -6.39 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.51 15.22 24.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.61 71.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' C ' ' HG1' ' A' ' 60' ' ' THR . 1.0 OUTLIER -104.1 167.69 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 57' ' ' GLY . 27.9 mt -109.48 143.98 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 m -152.03 165.01 36.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' VAL . . . -115.41 143.53 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 31.6 m-85 -144.48 144.24 31.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.856 HG22 ' HA ' ' A' ' 86' ' ' PRO . 87.8 mt -63.86 140.79 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.859 HG21 HG23 ' A' ' 55' ' ' VAL . 30.9 p -111.89 -46.38 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 144.85 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.568 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.84 109.63 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -53.61 149.28 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 108.34 19.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.466 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.08 19.59 5.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -111.06 171.6 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.838 HD22 ' HB3' ' A' ' 33' ' ' LEU . 4.4 mt -44.76 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.793 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.81 59.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -169.36 -52.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.555 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 30.8 p -86.53 -38.64 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.597 HG23 ' CD2' ' A' ' 33' ' ' LEU . 16.5 m -104.94 -38.87 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.686 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -79.17 -45.86 8.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.555 ' CE1' ' O ' ' A' ' 80' ' ' THR . 95.8 m-70 64.03 34.01 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -71.99 -172.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.412 ' HA ' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -160.07 150.81 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.856 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.93 90.77 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.46 -37.59 0.25 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.537 ' HB3' HG11 ' A' ' 123' ' ' VAL . 3.4 m-20 -50.4 179.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 0.727 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.533 ' C ' HG12 ' A' ' 123' ' ' VAL . 53.7 tt0 -136.77 100.83 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 98' ' ' LEU . 7.2 p -74.95 123.69 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD22 HE21 ' A' ' 99' ' ' GLN . 54.4 mt -91.57 -54.26 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -111.7 160.02 17.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 18.2 t-105 -142.81 92.14 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.1 t-20 76.85 13.85 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.73 -10.57 30.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.13 118.85 25.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.73 131.32 44.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 106' ' ' VAL . 26.0 mt -97.07 -22.56 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.447 HE21 HD22 ' A' ' 91' ' ' LEU . 10.5 mt-30 -56.94 117.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.25 -31.16 7.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.18 143.95 51.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 p -81.08 167.04 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -46.04 -47.34 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.95 -54.4 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.59 -56.31 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.609 ' HA ' HD12 ' A' ' 109' ' ' ILE . 83.8 t -50.96 -51.7 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ASN . 7.1 t80 -59.05 -58.48 8.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' TYR . 41.6 m-20 -40.23 -48.54 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 106' ' ' VAL . 30.9 mt -51.03 -56.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.2 mt -56.14 -23.72 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.42 -25.26 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.12 -18.12 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -95.04 7.66 45.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -58.68 -51.87 78.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.01 -30.54 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.83 145.84 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.557 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -33.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.6 pt20 -136.41 179.05 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.0 t -147.46 108.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.07 122.35 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.445 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 8.1 mt -106.01 161.4 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -148.68 102.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.537 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -108.91 143.94 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -116.12 117.62 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.3 163.89 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.69 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.862 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.1 m -97.76 147.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -149.74 122.56 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.587 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 89.9 m95 -117.67 109.07 16.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 19.6 mm-40 -140.21 152.31 66.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.04 164.1 33.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -64.75 170.1 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -42.75 -57.1 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.54 -70.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.76 43.26 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.31 -45.27 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -100.05 148.8 24.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.68 128.31 48.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -109.26 99.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -95.53 126.17 8.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HG3' HG13 ' A' ' 122' ' ' VAL . 3.3 mtt180 -119.91 116.08 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.944 HD13 HD21 ' A' ' 84' ' ' LEU . 3.8 mp -107.24 136.95 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -128.7 134.06 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -119.65 145.11 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -116.16 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.658 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -111.23 -19.55 12.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 7.1 mtp-105 -65.2 115.64 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 HD11 ' CD ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -68.93 -143.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -48.89 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -42.7 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 36' ' ' ARG . . . 94.71 44.11 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.752 ' O ' ' O ' ' A' ' 42' ' ' VAL . 59.9 m -140.65 0.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.752 ' O ' ' O ' ' A' ' 41' ' ' SER . 5.3 p 48.27 143.97 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 166.25 29.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -38.16 -50.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -150.96 111.38 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.0 44.71 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 62.32 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' A' ' 114' ' ' LYS . . . -53.13 -32.37 47.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.58 5.01 25.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 50' ' ' LEU . 2.6 mm? 68.68 -59.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 153.49 -20.99 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.786 HD21 HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -97.14 159.14 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.648 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.01 144.65 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.786 HG23 HD21 ' A' ' 52' ' ' LEU . 75.3 t -135.71 138.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.629 ' CG2' HG21 ' A' ' 70' ' ' THR . 12.4 t -114.32 112.28 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.32 -173.29 34.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 64.75 9.5 39.47 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.8 129.42 39.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.415 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -92.14 123.48 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 64' ' ' ARG . 18.1 p -95.45 -163.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.78 -28.93 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 p -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.78 -15.48 48.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' HG23 ' A' ' 60' ' ' THR . 9.0 mtt85 -79.37 142.78 35.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 57' ' ' GLY . 17.7 mt -89.86 148.33 23.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -154.45 164.18 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -110.17 144.73 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 41.7 m-85 -140.19 149.41 42.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.827 HG22 ' HA ' ' A' ' 86' ' ' PRO . 86.3 mt -69.4 140.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.629 HG21 ' CG2' ' A' ' 55' ' ' VAL . 32.7 p -116.43 -34.03 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.28 142.52 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.72 112.65 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -55.68 148.67 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.57 109.64 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 113.9 21.89 5.51 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.438 ' N ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -118.08 166.1 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.038 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -43.08 -60.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -74.54 57.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -179.91 -51.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.477 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 41.2 p -75.97 -34.51 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.862 ' O ' HG11 ' A' ' 16' ' ' VAL . 6.9 m -114.76 -38.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.31 -31.79 33.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.452 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.4 m-70 48.27 35.09 5.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.944 HD21 HD13 ' A' ' 31' ' ' ILE . 6.4 mt -66.65 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.509 ' HA ' HG11 ' A' ' 72' ' ' VAL . 16.0 mmt180 -158.54 150.67 17.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.827 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.06 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.34 42.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.668 ' OD2' HG11 ' A' ' 123' ' ' VAL . 0.4 OUTLIER -126.77 -178.32 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -134.71 105.47 6.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.462 ' HB ' HD12 ' A' ' 98' ' ' LEU . 3.1 t -76.72 119.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 124' ' ' SER . 99.2 mt -81.04 -55.69 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 26.0 mt-10 -125.36 160.64 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.58 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 14.4 t-105 -136.66 92.49 2.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.3 t-20 72.19 24.49 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.34 -15.83 46.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -83.32 113.02 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.33 132.0 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.557 HD13 HG13 ' A' ' 106' ' ' VAL . 19.6 mt -95.03 -23.44 17.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -53.61 115.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.087 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.06 -32.31 6.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.05 142.24 25.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.9 p -77.33 177.16 8.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.411 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 17.0 t80 -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.0 -37.74 78.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.29 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.642 ' HA ' HD12 ' A' ' 109' ' ' ILE . 78.2 t -47.19 -49.62 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -59.41 -51.72 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -51.83 -44.87 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 106' ' ' VAL . 60.3 mt -50.95 -62.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.58 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -52.12 -26.3 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.63 -27.87 37.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.4 mt-10 -70.6 -31.82 68.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 p -90.76 24.82 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.543 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -61.0 -57.24 27.76 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.91 135.74 0.8 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.436 ' HA ' HG11 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 -21.11 16.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.84 170.73 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.593 HG12 ' CD1' ' A' ' 121' ' ' LEU . 48.0 t -145.36 125.07 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 94' ' ' ASN . 3.4 tt0 -108.89 118.46 36.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.593 ' CD1' HG12 ' A' ' 119' ' ' VAL . 3.8 mp -104.69 161.62 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.66 HG13 ' HG3' ' A' ' 30' ' ' ARG . 2.6 t -147.24 118.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.668 HG11 ' OD2' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -119.33 146.93 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.756 ' HB2' HD11 ' A' ' 91' ' ' LEU . 17.0 t -115.2 123.32 48.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 160.5 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 t -141.06 142.71 34.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.987 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.33 134.27 12.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 -161.76 10.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 p -163.46 -58.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.25 109.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.49 103.27 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -106.77 143.83 34.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 0.725 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 t -75.33 147.43 40.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -104.12 145.32 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.3 m -69.74 -173.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 48.07 76.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.92 67.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.463 ' N ' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -176.75 119.9 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.56 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.527 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.99 -45.1 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 81' ' ' VAL . 23.5 t -102.11 133.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.79 125.91 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.52 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 90.2 m95 -118.14 108.71 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.04 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.443 HE21 ' N ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -132.94 150.56 75.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.554 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 160.96 39.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -77.21 -177.51 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.22 -43.65 64.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -73.25 -65.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.23 -34.11 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.17 -20.01 16.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -110.56 152.09 26.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -121.17 120.56 35.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.78 106.66 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -98.4 127.19 9.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.03 117.6 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.781 HD13 HD21 ' A' ' 84' ' ' LEU . 4.0 mp -111.37 151.87 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.3 tm? -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 HD12 ' A' ' 50' ' ' LEU . 4.1 mt -135.48 144.67 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -119.33 168.42 10.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ARG . 10.9 mttp -135.61 -46.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.1 mtm180 -37.73 110.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 41' ' ' SER . 3.4 mt -49.07 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.34 -46.63 47.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -54.82 -36.18 64.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 31.81 2.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.092 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' HD12 ' A' ' 37' ' ' LEU . 70.9 m -133.73 132.25 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG13 ' HD2' ' A' ' 43' ' ' PRO . 75.3 t -71.8 137.72 82.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.02 -174.95 2.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -63.24 -21.2 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER 161.75 108.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -106.86 48.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.82 85.37 1.33 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.744 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -52.4 -38.68 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -89.85 11.46 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 68.8 -62.16 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.89 -30.63 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.956 HD23 HG23 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -97.07 149.2 22.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.834 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -100.04 136.55 39.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.647 ' CG2' HD21 ' A' ' 52' ' ' LEU . 54.9 t -121.02 132.88 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.643 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.9 t -118.56 112.68 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.68 -173.79 28.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 58.76 14.93 24.79 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.84 128.22 35.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.459 ' HE1' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -80.93 116.66 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.0 p -83.55 -167.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.95 -4.01 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.43 1.27 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' ' HE1' ' A' ' 59' ' ' MET . . . 80.18 9.01 87.08 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.33 168.03 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.48 148.11 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.4 m -161.62 145.93 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.07 132.12 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -132.34 148.83 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.956 HG23 HD23 ' A' ' 52' ' ' LEU . 68.0 mt -71.66 124.92 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' CG2' ' A' ' 55' ' ' VAL . 73.3 p -91.28 -44.49 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -152.57 152.96 32.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.654 HG21 ' CA ' ' A' ' 85' ' ' ARG . 16.7 t -131.67 118.37 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -57.29 144.47 35.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -93.82 104.27 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.81 43.35 2.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -136.41 171.28 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.96 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.733 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.3 mm? -41.68 -70.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.774 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.64 68.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 5.3 t70 176.38 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 76' ' ' SER . 36.2 p -87.56 -38.35 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.704 ' O ' HG21 ' A' ' 16' ' ' VAL . 7.0 m -104.8 -39.38 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -81.55 -41.72 9.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 68.95 13.19 8.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.781 HD21 HD13 ' A' ' 31' ' ' ILE . 27.1 mt -55.9 164.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.654 ' CA ' HG21 ' A' ' 72' ' ' VAL . 2.5 mtp180 -153.38 162.58 26.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.84 4.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.33 -7.55 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.659 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -87.44 164.16 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 55.7 tt0 -121.38 113.84 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 98' ' ' LEU . 18.9 t -75.86 101.08 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 122' ' ' VAL . 1.1 mm? -66.82 -59.05 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -124.21 166.64 15.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.813 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 10.3 t-105 -145.24 103.88 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.438 ' OD1' ' HA ' ' A' ' 119' ' ' VAL . 7.4 m-20 63.03 16.56 9.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.29 -3.55 33.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -92.8 112.23 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.31 130.07 41.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.706 ' CD2' HD13 ' A' ' 109' ' ' ILE . 18.9 mt -98.24 -20.22 17.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -54.44 106.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.6 -30.41 9.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.95 142.32 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -76.53 171.27 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.41 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 58.1 t80 -55.05 -37.09 66.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -75.51 -48.13 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.27 -53.34 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.664 ' HA ' HD12 ' A' ' 109' ' ' ILE . 53.9 t -55.46 -51.28 58.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -58.1 -47.76 82.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -48.7 -52.74 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.706 HD13 ' CD2' ' A' ' 98' ' ' LEU . 9.1 mt -45.42 -74.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.2 mt -39.61 -30.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.612 HD23 ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -72.59 -58.52 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.33 -15.0 13.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -121.66 23.92 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.744 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -77.63 -48.32 2.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.01 -18.05 19.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.91 152.79 0.53 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.441 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 -40.29 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.465 HE21 HD21 ' A' ' 32' ' ' LEU . 4.0 pt20 -127.46 169.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.684 HG12 ' CD1' ' A' ' 121' ' ' LEU . 39.2 t -144.11 113.31 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 32' ' ' LEU . 8.6 tt0 -104.26 108.72 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.813 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 1.3 mp -94.87 165.18 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 91' ' ' LEU . 23.2 t -147.47 110.67 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.1 p -109.44 163.31 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.466 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 19.8 m -150.1 111.99 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.21 154.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.2 p -92.21 108.28 19.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -68.07 -162.04 2.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 128.56 11.6 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.542 1.811 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.8 t -174.46 80.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 t -92.9 -60.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 m 40.95 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 p -54.13 125.52 19.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.92 -169.34 13.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 p -117.42 133.14 56.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.35 -58.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.46 -130.91 7.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -43.39 164.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.63 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -124.26 168.29 13.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -76.17 142.91 41.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.585 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.92 73.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -123.9 73.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -72.21 -107.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.6 m-70 -95.38 143.2 25.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.618 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 81' ' ' VAL . 21.9 t -103.17 133.95 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.07 126.82 12.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.7 m95 -122.33 109.13 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.961 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.487 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -137.62 153.22 74.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 162.21 37.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -65.09 176.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.35 -53.46 8.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.59 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 127' ' ' GLY . 1.0 OUTLIER -118.82 -46.53 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.763 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.96 142.23 28.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -106.24 104.71 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 28' ' ' ILE . 4.8 mm -86.09 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -127.06 145.16 15.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' C ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -119.46 145.97 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.641 HD13 HD21 ' A' ' 84' ' ' LEU . 3.5 mp -139.61 108.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD11 HE21 ' A' ' 118' ' ' GLN . 8.4 tp -103.94 116.66 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.554 ' CG ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -99.58 142.29 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -138.15 119.44 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -7.71 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -49.91 117.96 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.6 mt -48.0 173.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -98.7 29.96 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.94 59.19 5.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -154.21 126.06 7.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.931 HG21 ' HA ' ' A' ' 117' ' ' PRO . 86.9 t -82.21 134.08 49.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.04 171.03 19.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.2 -36.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.38 105.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -55.62 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.22 75.0 0.1 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.974 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.42 -41.91 61.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.65 7.63 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER 68.16 -64.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 171.99 -36.85 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -96.62 162.46 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.886 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.23 124.37 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.653 ' CG2' HD21 ' A' ' 52' ' ' LEU . 74.0 t -105.95 136.49 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -122.78 112.72 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.461 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.59 -175.85 24.96 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.442 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 65.81 8.85 43.16 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 123.62 21.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.699 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.3 tpt -80.89 109.61 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.3 p -71.01 -165.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.41 1.95 56.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.18 5.03 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.45 11.31 85.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.48 169.64 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.699 HD21 ' SD ' ' A' ' 59' ' ' MET . 44.2 mt -113.83 145.44 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -157.55 144.9 18.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.55 126.38 38.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -126.36 145.21 50.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 86' ' ' PRO . 97.4 mt -71.47 128.31 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.1 p -92.98 -54.23 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.437 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -145.13 155.55 43.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 52' ' ' LEU . 63.4 t -129.5 120.1 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 14.8 tptt -60.58 131.99 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.75 104.49 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.59 39.65 2.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 80' ' ' THR . 5.9 t -131.05 167.69 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.0 mm? -40.78 -66.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.814 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -71.44 62.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 73' ' ' LYS . 9.4 t0 177.48 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 76' ' ' SER . 44.4 p -82.3 -34.73 28.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.544 HG23 HD12 ' A' ' 33' ' ' LEU . 6.1 m -112.38 -41.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.61 -36.4 19.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 61.0 15.01 5.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 109.615 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.814 HD12 ' HB1' ' A' ' 78' ' ' ALA . 11.8 mt -49.6 171.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.25 155.04 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.783 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.05 112.85 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.21 -10.25 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.777 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.5 m-20 -78.22 -178.23 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 91' ' ' LEU . 34.8 tt0 -136.59 113.38 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -77.78 100.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 124' ' ' SER . 0.5 OUTLIER -64.99 -59.25 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -120.28 167.5 12.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.905 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 14.3 t-105 -149.64 105.7 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 119' ' ' VAL . 11.3 m-20 63.21 16.08 9.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.91 45.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.505 ' HB3' HD13 ' A' ' 109' ' ' ILE . 1.6 mmt85 -102.79 112.66 25.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.96 132.12 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD13 HG13 ' A' ' 106' ' ' VAL . 30.9 mt -100.43 -20.48 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -53.64 107.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.441 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 99.61 -39.1 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.55 145.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.1 p -78.18 178.18 7.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.419 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 74.8 t80 -62.73 -40.87 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.24 -40.11 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.39 -64.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 98' ' ' LEU . 81.6 t -44.54 -47.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -62.35 -61.82 2.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -40.75 -49.38 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' A' ' 96' ' ' ARG . 97.2 mt -48.05 -65.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -50.85 -38.58 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 114' ' ' LYS . 23.1 tp -63.7 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.03 -11.97 60.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -123.64 24.7 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.974 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 6.8 mttt -72.49 -50.85 7.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.05 -21.69 15.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.88 146.57 0.31 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.931 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 -34.98 3.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.504 HE21 HD11 ' A' ' 32' ' ' LEU . 4.7 pt20 -131.41 173.94 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.689 HG12 HD13 ' A' ' 121' ' ' LEU . 60.6 t -150.15 126.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -113.0 110.01 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.905 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 3.5 mp -98.85 162.14 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 91' ' ' LEU . 31.2 t -147.79 107.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 1.3 p -108.07 159.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.563 ' HB2' HD21 ' A' ' 91' ' ' LEU . 3.2 m -126.28 141.51 51.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.04 162.95 22.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.0 p -109.49 109.22 19.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -41.74 164.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 137.95 22.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 p -179.23 157.86 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.32 136.82 49.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -157.78 85.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m 60.94 165.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.72 161.27 20.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -79.47 154.16 29.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.72 148.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.68 124.48 2.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -88.24 109.41 19.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.637 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 85.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -84.34 -63.49 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.601 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.6 p 179.16 75.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -135.79 76.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -114.19 67.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -57.08 150.56 39.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.475 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.5 m -100.12 146.9 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.04 123.46 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.555 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 89.3 m95 -107.75 109.56 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -134.54 148.98 69.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.99 160.8 39.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 p -76.68 179.17 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -53.44 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -65.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.33 -32.36 2.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -29.76 16.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -102.24 153.01 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.766 HD23 ' HA ' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -121.5 114.76 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.437 HD12 ' OG ' ' A' ' 124' ' ' SER . 10.2 mm -92.4 116.72 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -107.3 137.73 14.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' C ' HD12 ' A' ' 31' ' ' ILE . 2.7 mtt180 -118.84 141.61 48.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 1.005 HD13 HD21 ' A' ' 84' ' ' LEU . 2.8 mp -140.43 109.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 15' ' ' PRO . 8.0 tp -104.46 114.98 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -96.86 135.05 39.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -127.99 113.62 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -84.53 -33.93 23.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -41.52 111.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 41' ' ' SER . 4.7 mt -51.27 172.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -45.32 62.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -38.93 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.42 48.13 0.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' HD12 ' A' ' 37' ' ' LEU . 5.7 m -153.52 130.95 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG21 ' HA ' ' A' ' 117' ' ' PRO . 69.5 t -64.28 133.24 95.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.783 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -39.04 -37.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.11 -47.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 71.71 34.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.6 91.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.28 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.19 12.36 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER 69.06 -61.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 165.24 -28.4 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.823 HD13 HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -97.47 169.97 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.771 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.16 119.82 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.682 ' CG2' HD11 ' A' ' 52' ' ' LEU . 86.9 t -102.6 139.38 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.578 HG23 HG21 ' A' ' 70' ' ' THR . 3.2 t -122.7 112.47 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 -174.37 33.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 61.06 13.02 32.67 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 127.27 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.824 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.6 tpt -90.2 104.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.1 p -70.66 -161.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -2.85 51.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.71 8.1 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.3 10.74 79.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -91.58 154.96 18.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.824 HD21 ' SD ' ' A' ' 59' ' ' MET . 37.2 mt -112.23 136.95 51.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.7 t -161.99 147.29 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.602 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.16 131.95 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 56.2 m-85 -126.5 141.33 51.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.823 HG23 HD13 ' A' ' 52' ' ' LEU . 77.2 mt -61.93 130.94 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.578 HG21 HG23 ' A' ' 55' ' ' VAL . 11.9 p -103.49 -47.56 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -149.95 145.74 26.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.582 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -139.02 107.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -53.82 145.22 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 107.07 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.45 21.38 5.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 80' ' ' THR . 80.7 p -116.71 167.4 11.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.9 mm? -42.25 -61.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.75 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -74.63 58.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 8.8 t70 178.66 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.475 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 40.3 p -80.62 -33.73 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.682 ' O ' HG11 ' A' ' 16' ' ' VAL . 7.4 m -115.91 -39.72 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.38 -25.31 54.83 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 80' ' ' THR . 94.6 m-70 40.33 40.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.005 HD21 HD13 ' A' ' 31' ' ' ILE . 5.4 mt -74.15 -171.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -156.46 147.73 16.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.801 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.99 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.23 -18.0 1.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -68.15 -171.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 91' ' ' LEU . 27.5 tt0 -136.68 108.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.726 HG13 HD12 ' A' ' 98' ' ' LEU . 5.8 p -77.84 99.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -63.11 -59.66 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -117.15 168.0 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.788 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 9.8 t-105 -147.67 93.2 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 1.8 t30 77.97 18.56 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.69 -2.99 52.93 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 113.39 25.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.16 133.45 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.726 HD12 HG13 ' A' ' 90' ' ' VAL . 28.6 mt -97.96 -23.35 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.59 115.78 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.98 -27.83 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.44 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.9 p -85.61 170.8 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.9 -46.07 42.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.55 -54.87 25.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -48.1 -58.31 4.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 109' ' ' ILE . 75.7 t -50.62 -48.05 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.49 -54.94 36.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -43.6 -49.26 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 106' ' ' VAL . 52.7 mt -46.82 -74.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.2 mt -40.63 -33.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -68.24 -57.32 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.97 -16.88 13.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -125.34 24.79 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.474 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -74.47 -54.17 3.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -11.92 21.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.447 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.44 150.3 0.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.98 -33.53 4.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.8 pt20 -138.39 165.93 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.595 HG12 ' CD1' ' A' ' 121' ' ' LEU . 37.9 t -147.43 118.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -98.99 102.6 14.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.788 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 7.1 mp -87.76 161.67 17.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 91' ' ' LEU . 37.6 t -148.16 109.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.7 OUTLIER -106.96 161.59 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.48 ' HB2' HD21 ' A' ' 91' ' ' LEU . 11.8 m -145.19 119.8 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.84 159.32 32.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.82 118.7 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.09 155.36 21.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.766 ' HA ' HD23 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.99 172.58 16.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.2 p -61.1 114.06 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.7 p -41.24 -32.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t 62.6 153.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.01 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -142.48 -58.68 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.05 -85.88 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.41 153.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.92 155.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.55 97.84 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -105.11 148.75 26.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 0.742 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.02 138.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.02 164.91 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.599 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.61 78.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -137.04 75.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -136.23 110.26 8.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -58.5 119.63 37.87 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.606 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.28 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -101.85 151.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.74 127.24 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.593 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 93.5 m95 -112.89 109.39 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.97 148.74 64.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.481 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 157.75 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 p -72.39 178.85 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.937 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -50.86 23.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -68.72 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 -18.31 4.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.97 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -105.58 163.57 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.67 107.53 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 6.4 mm -81.22 117.27 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.571 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.3 133.37 11.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 2.3 mtt180 -118.74 129.92 55.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.837 HG21 HD11 ' A' ' 84' ' ' LEU . 3.0 mp -125.84 111.57 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -107.05 137.79 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 mm? -120.68 145.4 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -132.77 108.15 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.25 -1.17 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -57.21 125.55 23.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -52.45 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -75.76 -16.39 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -101.57 28.98 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 46.41 70.61 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 p -172.43 124.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 117' ' ' PRO . 74.8 t -80.76 137.56 50.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.06 170.38 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.4 -43.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -162.88 104.67 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -72.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.02 63.86 0.41 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.833 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -57.07 -39.5 75.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -91.65 5.04 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.5 mm? 67.15 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.89 41.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.915 HD23 ' HB1' ' A' ' 78' ' ' ALA . 1.9 pp -157.63 174.18 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.632 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.73 131.73 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.719 HG23 ' CD1' ' A' ' 52' ' ' LEU . 97.6 t -121.42 135.31 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.545 HG23 HG21 ' A' ' 70' ' ' THR . 4.4 t -112.04 112.84 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -106.39 160.08 14.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 101.92 5.44 50.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 122.29 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.55 117.25 16.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.507 ' CG2' ' SG ' ' A' ' 66' ' ' CYS . 5.2 p -83.09 -172.1 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -88.22 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.24 10.81 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.39 71.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -120.47 171.79 8.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 110.344 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 102' ' ' THR . 32.3 mt -105.98 153.79 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.597 ' SG ' ' CE2' ' A' ' 68' ' ' PHE . 7.4 p -149.82 166.32 29.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -126.7 126.08 42.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.597 ' CE2' ' SG ' ' A' ' 66' ' ' CYS . 51.3 m-85 -123.39 148.9 45.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.9 HG22 ' HA ' ' A' ' 86' ' ' PRO . 96.0 mt -72.53 135.08 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.545 HG21 HG23 ' A' ' 55' ' ' VAL . 29.0 p -107.78 -43.07 4.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.73 149.07 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.562 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -142.88 113.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -53.3 133.75 39.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 105.57 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.78 21.76 4.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.506 ' N ' HG23 ' A' ' 80' ' ' THR . 75.0 m -116.99 171.91 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.9 mm? -44.32 -61.91 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.915 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -74.98 60.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 177.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.601 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.8 p -79.7 -37.31 35.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.584 ' CG2' HD12 ' A' ' 33' ' ' LEU . 5.6 m -109.99 -40.4 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.91 -38.15 20.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 80' ' ' THR . 73.1 m-70 56.16 41.59 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.58 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 31' ' ' ILE . 1.3 mt -76.51 -177.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HA ' HG11 ' A' ' 72' ' ' VAL . 6.8 mtt180 -153.14 151.32 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.9 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.96 98.68 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.98 -20.59 0.87 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -64.59 178.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 51.4 tt0 -130.18 101.5 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 98' ' ' LEU . 2.6 p -75.32 101.44 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 124' ' ' SER . 49.4 mt -62.44 -59.38 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.555 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 11.1 t-105 -139.91 93.26 2.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 120' ' ' GLU . 3.7 t-20 75.9 21.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.2 -12.92 44.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -87.29 112.61 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.08 132.81 49.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.523 HD12 HG13 ' A' ' 90' ' ' VAL . 28.3 mt -95.54 -24.0 16.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.0 116.2 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 98.33 -30.48 9.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.26 142.87 58.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.7 ' HA ' HD13 ' A' ' 65' ' ' LEU . 3.0 p -81.89 166.95 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -42.04 -51.05 4.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.33 -58.07 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.91 -46.6 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' A' ' 56' ' ' GLY . 24.5 t -59.77 -43.43 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -69.44 -58.12 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' GLU . 23.1 m-80 -40.87 -33.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 93' ' ' TRP . 61.6 mt -64.89 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.555 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -55.1 -38.37 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.6 tm? -70.19 -35.32 73.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -71.74 -23.58 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.5 p -96.71 24.66 5.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.833 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.91 -51.35 38.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.03 -25.93 11.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.8 OUTLIER -38.81 139.89 0.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.758 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 -29.33 8.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.527 ' HB2' HD21 ' A' ' 32' ' ' LEU . 3.5 pt20 -141.07 177.17 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.437 HG11 ' CZ2' ' A' ' 93' ' ' TRP . 13.8 t -150.72 104.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.545 ' HB2' HD23 ' A' ' 32' ' ' LEU . 12.1 tt0 -94.07 106.46 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.45 163.64 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.8 t -147.55 100.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 124' ' ' SER . 1.4 p -105.17 163.45 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.729 ' HB3' HD11 ' A' ' 91' ' ' LEU . 8.4 t -148.21 114.23 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.11 27.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.0 p -82.19 123.07 28.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.29 -170.93 1.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.36 22.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.92 134.83 28.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 75.7 p -79.01 166.89 21.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.77 167.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.49 119.55 21.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -159.62 19.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -145.05 -58.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.14 148.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.58 174.54 35.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -161.15 125.41 3.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.6 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 p -113.07 154.81 25.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.77 96.03 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 m -109.43 74.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.79 78.29 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -98.88 -104.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 19.4 m-70 -97.31 142.86 25.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.98 -29.37 8.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.53 145.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -147.9 122.24 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 96.1 m95 -108.09 109.41 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.9 mp0 -131.86 147.36 65.64 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 158.41 42.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -72.14 -177.42 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -53.2 -49.35 66.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.19 -57.09 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.1 -31.34 4.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -54.0 -26.37 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -106.42 149.12 27.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -116.65 116.04 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' GLN . 9.9 mm -96.21 118.11 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -112.07 124.2 6.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.54 108.94 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.796 HD13 HD21 ' A' ' 84' ' ' LEU . 4.2 mp -101.15 151.61 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.7 tm? -141.08 138.34 33.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.877 HD13 HD22 ' A' ' 50' ' ' LEU . 3.3 mt -132.55 145.14 50.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -116.82 166.97 11.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.4 mtpm? -134.35 -46.64 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 35' ' ' LYS . 31.0 mtt180 -34.47 114.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.28 -171.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -46.69 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -43.49 67.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.21 0.5 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -158.35 141.75 15.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 117' ' ' PRO . 97.9 t -82.47 132.67 51.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.21 2.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.49 -36.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.8 93.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.96 51.33 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.11 75.22 0.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 114' ' ' LYS . . . -48.77 -42.08 34.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -59.32 -14.11 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD22 HD13 ' A' ' 33' ' ' LEU . 1.3 mp 69.37 -61.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 152.89 47.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -157.08 162.06 39.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.81 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -123.74 146.84 48.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.705 ' CG2' HD11 ' A' ' 52' ' ' LEU . 42.8 t -136.88 143.69 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -123.75 112.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.42 -175.44 29.96 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.47 16.71 61.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -74.83 118.51 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.741 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.1 tpt -81.36 112.64 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.2 p -79.06 -160.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.3 -0.13 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.32 11.49 20.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.92 14.19 70.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -96.89 160.97 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.741 HD21 ' SD ' ' A' ' 59' ' ' MET . 40.8 mt -115.12 136.46 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -152.95 147.8 26.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 108.352 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.512 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -90.1 150.1 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 80.5 m-85 -143.43 146.23 33.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 86' ' ' PRO . 91.3 mt -72.41 131.95 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.455 HG21 ' CG2' ' A' ' 55' ' ' VAL . 48.1 p -105.05 -42.71 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -149.87 152.86 35.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 59.3 t -130.3 132.98 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -64.96 126.2 27.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 106.84 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.63 49.43 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -141.05 -177.01 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 109.985 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.5 mm? -51.84 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.674 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.67 67.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.2 t70 177.16 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 76' ' ' SER . 70.8 p -83.6 -41.54 17.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.613 HG23 ' CD2' ' A' ' 33' ' ' LEU . 11.8 m -102.53 -37.24 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.1 -42.13 12.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 67.64 14.38 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.537 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.796 HD21 HD13 ' A' ' 31' ' ' ILE . 4.4 mt -58.76 171.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.28 156.4 31.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.758 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.59 -33.43 0.63 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.512 ' HB3' HG11 ' A' ' 123' ' ' VAL . 1.1 m-20 -60.37 -179.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 35.8 tt0 -136.8 101.36 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.487 HG13 HD12 ' A' ' 98' ' ' LEU . 7.7 p -71.71 121.47 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.27 -55.6 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 27.4 mt-10 -114.15 156.93 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.654 ' CE3' ' CD2' ' A' ' 121' ' ' LEU . 24.3 t-105 -137.77 97.12 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.78 24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.38 -13.58 56.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 2.8 mmt-85 -83.77 117.81 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 133.39 45.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.489 ' CD2' HD13 ' A' ' 109' ' ' ILE . 27.9 mt -99.39 -22.28 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -55.41 120.11 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.16 -31.27 6.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.78 148.37 25.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -87.31 172.06 10.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.43 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -48.65 -44.02 37.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' TYR . 2.1 mt-10 -65.96 -62.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.58 -56.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' A' ' 109' ' ' ILE . 70.5 t -50.05 -45.95 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLU . 1.6 t80 -64.04 -57.01 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -42.7 -48.38 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 106' ' ' VAL . 55.9 mt -48.34 -74.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.52 HG12 ' CE2' ' A' ' 93' ' ' TRP . 5.5 mt -41.83 -28.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' A' ' 111' ' ' LEU . 0.8 OUTLIER -71.57 -63.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.01 -25.51 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -91.91 25.61 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.054 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 1.9 mtpt -71.31 -49.92 11.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -21.04 16.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -41.4 135.53 1.91 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.02 -28.53 9.05 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.8 pt20 -132.54 173.08 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.737 HG21 HD21 ' A' ' 50' ' ' LEU . 3.1 t -145.25 103.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -96.42 121.17 37.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.654 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 9.5 mt -107.14 164.96 11.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -147.82 105.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -107.39 146.11 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -130.61 106.01 8.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -109.24 150.15 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.8 p -86.13 120.83 27.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.94 -164.94 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.65 7.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -74.0 -64.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.41 120.47 12.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.21 -59.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.74 168.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.86 119.36 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -171.06 127.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.55 117.57 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.69 -83.07 1.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -96.45 169.56 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.634 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.971 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 68.83 124.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.0 m 65.19 173.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.94 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 61.61 74.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -151.07 132.66 14.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.01 121.05 28.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.557 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.98 -39.71 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.655 HG13 HG13 ' A' ' 31' ' ' ILE . 21.1 t -106.5 133.41 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.92 123.0 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -111.11 109.32 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -136.3 151.06 72.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.579 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.93 158.8 42.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -173.93 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.59 51.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.45 -64.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.2 -41.21 1.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -50.91 -30.6 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -97.69 149.17 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.579 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -115.74 123.57 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.5 mm -104.7 105.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.01 126.2 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.71 112.76 25.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.722 HD13 HD21 ' A' ' 84' ' ' LEU . 3.5 mp -110.35 146.82 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -141.82 135.53 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD13 HD12 ' A' ' 50' ' ' LEU . 2.8 mt -124.59 142.34 51.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -131.16 141.26 50.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -33.86 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.5 112.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 43' ' ' PRO . 5.9 mt -64.92 -176.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -34.26 49.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.94 -37.51 61.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 36' ' ' ARG . . . 88.58 50.42 3.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' VAL . 3.9 m -130.67 7.09 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' A' ' 36' ' ' ARG . 3.5 t 61.12 132.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.96 -169.14 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' PRO . 19.3 mtm-85 -38.41 -40.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.89 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.25 44.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.9 98.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.841 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.38 -38.74 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.27 18.88 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.733 HD12 HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER 69.28 -60.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 173.35 -32.48 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.577 1.173 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.048 HD13 HG23 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -96.54 171.88 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.686 ' N ' HD12 ' A' ' 52' ' ' LEU . 1.3 tttt -119.19 126.25 51.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG22 HD11 ' A' ' 52' ' ' LEU . 58.6 t -109.28 146.62 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.9 t -131.2 112.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.45 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.43 -171.44 32.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 11.63 43.05 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.54 120.46 17.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -85.65 109.99 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -75.37 -166.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.13 -11.68 40.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.38 -6.67 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.16 7.49 73.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -96.18 158.32 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 59' ' ' MET . 27.9 mt -110.74 143.12 41.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.72 152.47 17.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -93.58 134.31 36.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 81.8 m-85 -125.04 147.35 49.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.048 HG23 HD13 ' A' ' 52' ' ' LEU . 59.3 mt -69.81 132.61 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.48 HG21 ' CG2' ' A' ' 55' ' ' VAL . 30.8 p -103.78 -48.32 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.81 153.46 38.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.063 HG12 ' OD2' ' A' ' 79' ' ' ASP . 13.2 t -130.44 107.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.4 tptt -54.93 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.56 106.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.56 17.21 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -116.33 -176.47 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 33' ' ' LEU . 6.0 mt -54.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -70.44 57.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 1.063 ' OD2' HG12 ' A' ' 72' ' ' VAL . 2.5 m-20 -162.3 -64.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 12.1 p -84.87 -23.07 29.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 t -106.42 -39.35 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.74 -47.78 5.78 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 80' ' ' THR . 59.1 m-70 76.86 14.4 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.722 HD21 HD13 ' A' ' 31' ' ' ILE . 1.6 mt -64.76 176.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 156.39 32.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.662 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.97 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.12 -14.6 2.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.599 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -78.35 164.4 24.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 41.7 tt0 -115.34 112.47 22.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HE3' ' A' ' 93' ' ' TRP . 20.9 t -77.68 98.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -63.75 -59.26 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.58 169.45 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.623 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 7.8 t-105 -150.73 92.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.6 t-20 78.75 15.89 1.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.18 -7.49 47.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.48 117.58 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.61 127.35 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.764 ' CD2' HD13 ' A' ' 109' ' ' ILE . 17.7 mt -95.36 -15.91 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.71 115.91 5.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.7 -19.18 52.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -66.48 142.58 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.2 p -81.61 168.81 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -44.55 -47.84 10.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.86 -58.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 21.6 mt-10 -38.79 -52.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.686 ' HA ' HD12 ' A' ' 109' ' ' ILE . 81.4 t -57.7 -51.93 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.1 t80 -58.72 -47.16 85.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 112' ' ' GLU . 28.0 m-80 -48.94 -41.51 34.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.764 HD13 ' CD2' ' A' ' 98' ' ' LEU . 15.1 mt -58.97 -71.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -47.44 -41.47 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.623 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.5 tm? -65.29 -33.97 77.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.9 mm-40 -77.67 -24.55 49.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -97.61 23.64 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.041 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.841 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -71.53 -54.21 6.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.05 -17.16 19.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 142.86 20.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.2 4.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.777 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' C ' ' CG2' ' A' ' 119' ' ' VAL . 3.5 pt20 -137.3 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.648 HG12 ' CD1' ' A' ' 121' ' ' LEU . 8.1 t -151.5 117.11 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -98.97 103.71 15.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.648 ' CD1' HG12 ' A' ' 119' ' ' VAL . 2.8 mp -88.06 162.19 16.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' LEU . 42.9 t -148.33 112.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -109.54 163.7 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 123' ' ' VAL . 27.9 t -150.46 109.18 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 163.14 14.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.9 t -94.79 136.79 34.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -98.5 -162.6 30.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.17 13.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -162.05 -59.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 t -115.43 162.03 17.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -113.08 172.31 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.07 160.37 14.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.0 -130.54 7.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 63.66 127.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.14 170.62 18.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.952 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.75 87.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -174.57 172.03 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 109.591 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.8 p -40.77 142.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -100.22 68.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.47 81.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.4 76.65 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.72 111.13 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -43.24 148.59 0.61 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.633 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.01 -20.42 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 17' ' ' THR . 23.7 t -110.97 140.26 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -153.34 126.38 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 94.8 m95 -120.74 108.89 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 52.7 mm-40 -136.27 151.12 72.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 158.11 42.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -75.95 -177.31 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -49.46 -52.81 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.47 -66.99 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.09 -21.2 4.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.5 -6.94 49.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -122.8 147.42 46.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -113.37 135.92 53.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mm -112.91 100.84 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -93.73 126.42 8.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -117.83 117.26 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.788 HD13 HD21 ' A' ' 84' ' ' LEU . 4.3 mp -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.0 tm? -140.34 142.68 35.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.847 HD13 HD12 ' A' ' 50' ' ' LEU . 5.0 mt -136.95 145.04 43.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -140.84 141.59 34.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -111.07 -22.77 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' LYS . 75.4 mtm180 -38.34 104.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 43' ' ' PRO . 6.4 mt -57.84 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.2 74.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.66 50.39 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 4.8 m -133.54 8.91 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG21 ' HA ' ' A' ' 117' ' ' PRO . 3.9 t 61.42 134.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.5 Cg_endo -75.0 -177.34 3.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.59 -46.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.71 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t 65.43 74.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.76 95.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.674 ' HB1' ' HD3' ' A' ' 114' ' ' LYS . . . -56.4 -38.41 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -86.74 16.72 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.953 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.847 HD12 HD13 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 69.32 -60.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 169.67 -30.47 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.951 HD13 HG23 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -96.65 163.14 13.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.855 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.52 131.44 55.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.599 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 59.4 t -115.19 145.94 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -130.03 112.88 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.59 -177.88 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.21 10.64 62.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.3 ttpt -69.6 118.89 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.616 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.1 tpt -81.47 110.6 17.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 80.8 p -77.35 -172.73 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.37 -20.03 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.23 12.66 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.88 21.67 71.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 155.77 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.616 HD21 ' SD ' ' A' ' 59' ' ' MET . 32.1 mt -114.3 135.83 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -159.83 152.73 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -91.66 132.01 36.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 68.2 m-85 -126.46 138.31 53.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.951 HG23 HD13 ' A' ' 52' ' ' LEU . 68.9 mt -62.75 130.66 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.8 p -104.44 -40.94 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.04 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 14.8 t -141.45 113.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -56.54 113.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -68.97 102.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.48 42.66 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 80' ' ' THR . 0.5 OUTLIER -140.24 171.42 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.0 mt -40.75 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.634 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.54 69.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.48 ' OD2' HG12 ' A' ' 72' ' ' VAL . 3.7 t0 176.21 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 43.2 p -82.8 -39.58 21.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 77' ' ' LEU . 15.4 m -103.32 -37.86 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -78.48 -44.24 11.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 80' ' ' THR . 89.9 m-70 68.63 18.06 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 109.641 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.788 HD21 HD13 ' A' ' 31' ' ' ILE . 4.8 mt -62.49 171.44 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.35 153.94 31.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.97 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.65 -10.84 3.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -84.01 176.41 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.3 tt0 -128.59 113.9 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.524 HG13 HD12 ' A' ' 98' ' ' LEU . 2.6 p -81.23 98.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -61.43 -60.6 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.895 ' OE2' HD12 ' A' ' 97' ' ' LEU . 2.6 mp0 -115.6 171.79 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.451 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 9.3 t-105 -150.29 92.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 107.98 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.422 ' ND2' ' CD ' ' A' ' 116' ' ' GLU . 1.4 t-20 73.93 18.36 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.87 -7.47 41.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.435 ' CD ' HG12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -88.09 121.02 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.895 HD12 ' OE2' ' A' ' 92' ' ' GLU . 2.6 tp -74.82 126.1 30.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.642 ' CD2' HD13 ' A' ' 109' ' ' ILE . 36.2 mt -94.16 -17.36 22.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -60.77 119.34 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.01 7.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -58.61 143.31 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 p -81.22 171.13 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -47.76 -44.61 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.3 -59.44 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 15.2 mt-10 -39.89 -56.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.735 ' HA ' HD12 ' A' ' 109' ' ' ILE . 56.6 t -52.57 -50.3 40.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.38 -54.23 49.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -41.28 -50.75 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 106' ' ' VAL . 10.3 mt -47.98 -70.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.428 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.1 mt -40.48 -31.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.57 HD23 ' HG3' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -70.49 -62.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -50.79 -21.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -93.87 24.53 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.674 ' HD3' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -74.4 -49.77 5.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.0 Cg_endo -75.06 -32.11 5.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.422 ' CD ' ' ND2' ' A' ' 94' ' ' ASN . 3.8 mt-10 -37.85 136.27 0.77 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.437 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.03 -33.02 4.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.501 HE21 HD21 ' A' ' 32' ' ' LEU . 4.2 pt20 -132.91 172.32 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.4 t -146.67 113.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -99.66 108.54 20.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.451 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 6.9 mt -91.53 162.46 14.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 91' ' ' LEU . 24.4 t -148.49 110.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -109.4 157.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 41.2 t -140.44 107.98 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.98 159.65 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.9 t -93.62 137.22 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -101.02 -171.52 28.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.07 16.18 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.5 t -165.08 81.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.2 m -81.03 -56.73 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t 51.42 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 p -161.71 147.26 13.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.29 -143.15 8.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.23 84.79 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -112.12 137.46 50.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.2 -134.35 3.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -174.41 91.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.602 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 t -172.64 156.59 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -122.23 149.86 43.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.558 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.15 75.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -123.98 77.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -130.6 114.99 16.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -52.54 147.25 15.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.625 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.02 -35.99 2.79 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 81' ' ' VAL . 11.7 t -99.74 139.07 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -153.16 120.49 5.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.9 m95 -108.2 108.22 19.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -131.68 150.73 77.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.02 157.49 42.65 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -68.16 -172.07 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -67.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.42 -27.73 3.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.23 -32.79 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -100.86 159.28 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -124.49 112.98 17.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' GLN . 26.1 mm -91.17 107.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -102.29 135.36 12.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -118.13 128.91 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.923 HD13 HD21 ' A' ' 84' ' ' LEU . 3.6 mp -123.49 109.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.586 HD11 HE21 ' A' ' 118' ' ' GLN . 5.5 tp -107.45 117.46 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.68 ' CB ' HD12 ' A' ' 50' ' ' LEU . 1.5 mm? -99.99 141.0 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -132.0 111.08 11.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.73 20.06 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -75.25 124.2 26.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 41' ' ' SER . 60.8 mt -59.05 176.29 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -51.95 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -21.78 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.71 20.84 20.67 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.497 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.4 m -120.23 123.13 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.973 HG21 ' HA ' ' A' ' 117' ' ' PRO . 57.4 t -66.36 141.54 97.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.07 177.76 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -34.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 p30 169.97 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 t -85.18 0.67 51.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.8 77.52 0.25 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HD3' ' A' ' 114' ' ' LYS . . . -52.98 -33.39 51.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.57 8.24 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.68 HD12 ' CB ' ' A' ' 33' ' ' LEU . 2.2 mm? 67.38 -69.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 159.07 41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB1' ' A' ' 78' ' ' ALA . 1.3 pp -157.51 170.07 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.647 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -123.52 134.76 53.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.726 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 92.2 t -124.71 141.46 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 70' ' ' THR . 2.5 t -119.56 112.67 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.38 33.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 64.2 10.79 43.04 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -69.4 118.96 12.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.601 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -84.38 109.51 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.4 p -76.16 -162.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.98 -0.91 57.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.91 8.52 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.27 11.25 75.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -94.5 155.57 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD21 ' SD ' ' A' ' 59' ' ' MET . 28.0 mt -113.01 141.14 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 3.0 t -153.97 171.22 19.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.726 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -115.44 126.49 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 32.9 m-85 -123.86 141.08 52.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.9 131.86 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.476 HG21 ' CG2' ' A' ' 55' ' ' VAL . 17.8 p -108.24 -21.59 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -163.88 143.69 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -143.16 107.12 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 9.7 tptt -53.63 92.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.19 108.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.83 11.61 2.87 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -113.57 -167.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 81' ' ' VAL . 9.2 mt -61.45 -67.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.812 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -71.32 58.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.52 ' OD2' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -171.99 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 76' ' ' SER . 68.3 p -79.86 -40.3 28.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.991 ' O ' HG21 ' A' ' 16' ' ' VAL . 10.7 m -101.51 -36.98 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -77.48 -42.19 18.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 64.73 38.5 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.923 HD21 HD13 ' A' ' 31' ' ' ILE . 2.6 mt -84.88 -179.93 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.647 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.2 mtp180 -159.4 157.41 26.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.549 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 85.96 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.06 -34.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.138 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.37 -179.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 40.6 tt0 -137.11 101.25 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 67' ' ' ALA . 2.9 p -72.16 115.25 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 124' ' ' SER . 51.2 mt -81.35 -57.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -115.21 162.73 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.73 ' CZ2' HG11 ' A' ' 119' ' ' VAL . 11.2 t-105 -141.67 95.27 2.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.11 16.74 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.87 -13.31 32.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -84.68 114.29 21.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 132.64 47.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.452 HD12 HG13 ' A' ' 90' ' ' VAL . 25.5 mt -97.21 -23.16 16.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -53.87 116.34 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.83 -33.07 5.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.78 142.84 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.7 p -81.31 172.51 13.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -52.49 -42.37 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -50.57 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -49.43 -61.09 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 109' ' ' ILE . 72.9 t -45.59 -49.69 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.69 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -43.42 -45.37 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 106' ' ' VAL . 73.0 mt -51.71 -75.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 93' ' ' TRP . 6.3 mt -41.57 -28.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.86 HD23 ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -69.51 -62.03 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.42 -20.03 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.7 p -104.81 26.18 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.86 ' HG3' HD23 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -70.47 -49.58 15.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -23.96 13.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.23 139.03 0.53 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.973 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.06 -29.32 8.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.586 HE21 HD11 ' A' ' 32' ' ' LEU . 3.8 pt20 -138.39 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.73 HG11 ' CZ2' ' A' ' 93' ' ' TRP . 42.0 t -152.89 114.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -96.01 111.25 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.578 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 6.4 mt -95.36 163.36 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.2 t -148.06 104.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.02 144.11 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.473 ' HB2' HD11 ' A' ' 91' ' ' LEU . 28.9 t -125.06 111.16 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.66 158.54 24.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.1 p -79.98 127.85 32.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.69 -165.26 2.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.24 12.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.3 m -159.87 112.99 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.76 -58.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.84 -67.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -65.11 -58.74 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.8 -128.86 2.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m 60.07 94.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.53 159.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.93 -147.06 7.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.8 m170 61.15 109.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 0.749 . . . . 0.0 109.579 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.47 -56.82 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -42.02 150.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -143.39 79.44 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.35 76.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -137.59 86.7 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.4 m-70 -53.36 147.3 19.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.582 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.558 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.3 m -95.03 153.25 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -152.06 123.42 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.7 m95 -109.74 109.06 19.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -136.33 150.47 70.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.94 156.93 43.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -70.43 -176.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -51.48 54.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -67.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.97 -27.93 3.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -19.11 10.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 0.733 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -114.41 161.7 17.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -127.01 113.77 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 mm -92.22 114.89 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -104.54 138.05 13.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -125.33 126.34 44.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.699 HD13 HD21 ' A' ' 84' ' ' LEU . 3.4 mp -121.71 117.7 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.3 tm? -111.6 132.37 54.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 mm? -117.0 144.62 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -122.14 134.45 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -105.97 -44.88 4.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -38.48 115.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 43' ' ' PRO . 4.3 mt -55.68 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -41.57 90.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -44.36 93.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 50.53 0.28 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 m -155.53 139.35 16.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' A' ' 117' ' ' PRO . 76.5 t -77.41 128.75 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.93 -176.95 3.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -37.62 -41.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 48' ' ' ALA . 8.2 t70 178.38 93.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t -78.27 55.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 72.79 0.87 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.788 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.08 -38.98 54.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -88.44 10.78 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.4 mm? 69.78 -59.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 158.21 -22.89 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.918 HD13 HG23 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -96.2 167.01 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.731 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -118.51 119.62 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.76 HG22 HD11 ' A' ' 52' ' ' LEU . 45.1 t -103.34 146.55 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -134.96 112.89 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -103.03 -172.52 26.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.14 8.87 52.35 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -69.22 118.71 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.64 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.2 tpt -81.56 108.15 14.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.5 p -74.25 -174.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.98 -1.43 43.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.56 10.89 19.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 14.77 71.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 153.0 17.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.64 HD21 ' SD ' ' A' ' 59' ' ' MET . 24.2 mt -111.76 142.18 44.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.1 t -161.45 164.38 29.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -108.87 133.44 52.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 89' ' ' GLU . 42.4 m-85 -129.85 143.64 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.918 HG23 HD13 ' A' ' 52' ' ' LEU . 57.0 mt -63.69 127.93 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 p -100.28 -47.23 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 145.63 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -138.33 111.13 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -54.48 150.03 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.0 102.96 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.25 32.13 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.524 ' N ' HG23 ' A' ' 80' ' ' THR . 58.4 p -125.63 163.21 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.6 mm? -40.59 -58.27 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.774 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -75.27 57.84 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.461 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 3.6 t70 177.96 -54.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 76' ' ' SER . 55.9 p -71.3 -35.24 71.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.558 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.9 m -115.84 -38.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.418 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -80.62 -32.21 34.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 94.7 m-70 48.29 39.24 11.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 52' ' ' LEU . 5.9 mt -70.52 -172.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' HG11 ' A' ' 72' ' ' VAL . 33.7 mmt-85 -157.98 149.57 16.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.651 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 94.53 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.62 -20.69 0.71 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.664 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.3 m-20 -60.43 -177.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 27.2 tt0 -137.01 102.02 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 98' ' ' LEU . 2.7 p -72.83 101.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 124' ' ' SER . 85.6 mt -66.87 -55.92 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -120.66 165.28 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.597 ' CD1' HG22 ' A' ' 109' ' ' ILE . 7.2 t-105 -144.14 103.99 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.638 ' OD1' HG13 ' A' ' 119' ' ' VAL . 9.0 m-20 62.43 15.77 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.98 -5.65 34.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -92.27 113.3 25.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.91 131.01 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 90' ' ' VAL . 23.5 mt -96.9 -21.97 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -57.89 114.01 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.83 -26.46 20.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.21 143.81 54.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -79.98 170.54 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -50.27 -43.51 53.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.38 -54.1 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -44.98 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.475 HG21 ' HA3' ' A' ' 56' ' ' GLY . 74.6 t -52.49 -45.89 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.58 -54.97 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -40.41 -47.66 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.597 HG22 ' CD1' ' A' ' 93' ' ' TRP . 5.2 mt -50.35 -75.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.578 HG12 ' CH2' ' A' ' 93' ' ' TRP . 3.2 mt -41.25 -28.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.799 HD23 ' HD2' ' A' ' 114' ' ' LYS . 0.4 OUTLIER -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 109' ' ' ILE . 2.7 mt-10 -66.12 -8.24 22.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.44 1.48 49.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.799 ' HD2' HD23 ' A' ' 111' ' ' LEU . 7.3 mttt -59.09 -49.66 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -75.05 -33.49 4.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.9 OUTLIER -40.27 135.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.03 -30.99 6.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.4 pt20 -131.11 172.66 11.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.638 HG13 ' OD1' ' A' ' 94' ' ' ASN . 13.2 t -148.64 107.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.7 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.2 mt -96.12 163.44 13.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 91' ' ' LEU . 21.2 t -147.66 102.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 88' ' ' ASP . 1.1 p -111.66 156.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.615 ' HB2' HD11 ' A' ' 91' ' ' LEU . 2.6 t -113.17 159.71 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.55 156.52 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.2 p -99.19 101.84 13.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.8 153.55 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 134.51 17.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.78 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.3 p -115.73 163.68 15.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.97 138.18 26.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -174.06 97.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 p -135.15 114.37 12.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.04 89.5 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -70.65 169.1 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.25 141.25 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.14 161.61 19.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.38 70.25 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.585 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.77 147.35 11.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.23 100.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.591 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.2 p -152.66 74.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -127.38 78.38 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.63 97.47 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.04 115.3 5.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -37.59 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 17' ' ' THR . 1.4 m -103.74 149.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -152.0 124.29 8.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CZ3' ' HA3' ' A' ' 29' ' ' GLY . 87.5 m95 -109.71 108.53 18.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -136.73 149.6 67.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 157.67 43.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.5 p -72.63 -177.06 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -50.11 -52.72 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -73.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.34 -32.53 2.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.8 -21.74 43.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -106.21 158.22 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -124.02 128.33 49.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.2 mm -106.61 112.33 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -105.16 134.17 11.92 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.52 130.0 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 84' ' ' LEU . 3.0 mp -126.72 114.61 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 33' ' ' LEU . 3.1 tm? -111.42 138.19 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.6 mm? -120.42 145.63 47.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -132.32 131.78 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 -29.82 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -39.08 107.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 43' ' ' PRO . 6.1 mt -61.76 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.05 -39.63 75.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -35.74 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.66 52.51 3.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -133.76 8.29 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' SER . 3.3 t 61.52 135.0 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.661 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.05 170.06 21.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -48.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.39 79.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -50.87 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.75 89.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.84 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -53.12 -51.37 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.05 8.72 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER 69.75 -58.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 155.24 -21.23 0.56 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.797 HD21 HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -100.89 153.97 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.772 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -107.49 151.38 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.839 ' CG1' ' HB1' ' A' ' 67' ' ' ALA . 73.1 t -141.79 138.41 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.686 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.5 t -118.66 112.39 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.635 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.48 -175.56 32.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.81 18.18 59.14 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -77.75 117.87 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.634 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.3 tpt -80.77 110.11 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 64' ' ' ARG . 69.7 p -78.48 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.437 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.51 -31.18 37.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.56 21.48 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.43 ' O ' ' CE ' ' A' ' 59' ' ' MET . . . 59.73 18.93 47.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 60' ' ' THR . 3.2 mmt180 -90.45 152.78 20.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 0.77 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD21 ' SD ' ' A' ' 59' ' ' MET . 26.9 mt -112.39 136.65 51.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -155.68 154.3 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.839 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -99.98 122.13 42.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 50.3 m-85 -117.66 143.86 45.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.836 HG22 ' HA ' ' A' ' 86' ' ' PRO . 88.7 mt -64.4 131.44 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.686 HG21 ' CG2' ' A' ' 55' ' ' VAL . 61.3 p -104.52 -40.0 6.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.49 142.34 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.542 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p -136.3 113.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.08 142.22 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.38 105.69 17.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.51 23.29 4.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 80' ' ' THR . 0.4 OUTLIER -116.01 166.69 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.3 mt -43.37 -64.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.849 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -73.17 58.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' OD1' HG22 ' A' ' 72' ' ' VAL . 9.7 t70 -179.46 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 36.4 p -84.95 -40.22 17.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 33' ' ' LEU . 5.4 m -104.97 -39.69 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.11 -36.37 27.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 59.33 42.67 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.613 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 31' ' ' ILE . 7.0 mt -80.37 176.54 9.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.1 mtt85 -151.59 154.03 32.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.836 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.98 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.84 -18.24 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.661 ' HB2' HD12 ' A' ' 69' ' ' ILE . 1.8 m-20 -68.11 175.68 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 40.3 tt0 -129.36 103.12 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.746 HG13 HD12 ' A' ' 98' ' ' LEU . 4.9 p -73.3 100.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.844 HD11 ' CB ' ' A' ' 124' ' ' SER . 88.4 mt -64.61 -56.24 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.68 168.13 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 16.2 t-105 -145.93 93.49 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.2 t-20 77.0 20.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.0 52.82 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -87.34 112.48 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.94 131.4 46.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.746 HD12 HG13 ' A' ' 90' ' ' VAL . 23.7 mt -95.78 -22.66 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -54.88 116.08 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.52 -29.83 7.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.96 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -76.4 170.8 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -50.59 -42.77 56.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.57 -51.72 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.62 -49.03 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.635 HG21 ' HA3' ' A' ' 56' ' ' GLY . 70.1 t -58.41 -46.66 89.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -64.87 -55.07 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 112' ' ' GLU . 60.5 m-20 -43.12 -40.62 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 106' ' ' VAL . 41.8 mt -57.19 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.543 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 5.3 mt -46.23 -45.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.572 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.7 tm? -60.67 -35.77 77.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.5 mm-40 -77.02 -35.1 57.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -92.4 25.17 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.84 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 5.9 mtpt -71.24 -51.44 10.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.1 Cg_endo -75.01 -21.21 16.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 1.1 mm-40 -42.38 142.31 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -31.54 6.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 7.0 pt20 -139.93 158.9 43.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.472 HG11 ' CE2' ' A' ' 93' ' ' TRP . 21.9 t -138.23 112.54 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.447 ' HB2' HD23 ' A' ' 32' ' ' LEU . 8.1 tt0 -96.79 106.05 18.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.64 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 5.1 mt -86.6 161.51 18.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 91' ' ' LEU . 26.3 t -147.66 103.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 88' ' ' ASP . 1.5 p -108.78 158.71 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.844 ' CB ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -124.2 130.54 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.1 161.0 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.8 p -106.65 115.19 29.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -98.7 -163.88 30.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.96 36.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.3 p -145.23 85.41 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.6 p -52.1 152.24 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 p -156.95 127.71 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.787 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.4 p -49.61 137.56 15.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.41 -65.48 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -87.78 81.82 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -79.58 93.54 5.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.39 123.81 7.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -98.06 128.9 44.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.611 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t 67.75 -70.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER 66.35 177.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.562 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.2 p 42.02 69.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.16 76.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.86 -108.2 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -43.74 117.69 2.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.613 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -34.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.2 m -107.61 143.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.83 126.09 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.592 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 89.0 m95 -114.11 109.37 18.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.9 mp0 -136.48 150.59 70.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.98 157.6 42.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 174.27 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -55.25 4.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -62.2 -56.08 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.1 -36.55 3.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.36 -34.65 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -95.86 151.02 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.66 115.02 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' GLN . 11.9 mm -90.14 117.7 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.4 139.94 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' C ' HD12 ' A' ' 31' ' ' ILE . 2.0 ttm-85 -121.38 139.91 52.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.901 HG21 HD11 ' A' ' 84' ' ' LEU . 2.9 mp -137.64 111.26 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -114.07 137.19 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.841 HD23 HD22 ' A' ' 50' ' ' LEU . 2.1 mm? -124.12 145.97 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -121.3 145.0 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.804 ' HB2' HG22 ' A' ' 42' ' ' VAL . 63.3 mttt -112.04 -48.66 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 56.3 mtt180 -35.78 114.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 43' ' ' PRO . 2.8 mt -63.91 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -37.5 77.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -62.09 -43.63 98.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.72 54.61 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -163.85 121.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.804 HG22 ' HB2' ' A' ' 35' ' ' LYS . 90.9 t -54.61 132.55 64.28 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -36.69 -45.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' A' ' 48' ' ' ALA . 6.9 t0 176.75 83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.75 67.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 53.68 69.55 1.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.794 ' HB1' ' HG3' ' A' ' 114' ' ' LYS . . . -46.74 -53.66 11.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.6 -16.94 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.841 HD22 HD23 ' A' ' 33' ' ' LEU . 1.7 mp 72.72 2.93 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.36 38.87 16.61 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -152.99 154.37 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.921 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.58 150.94 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 52' ' ' LEU . 99.1 t -141.39 138.03 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.66 112.33 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.467 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.19 -168.97 28.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 56.36 16.32 14.58 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.21 126.53 30.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.28 116.22 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.2 p -86.02 -173.54 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -82.51 -10.4 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -101.67 8.91 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 21.19 76.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -108.43 167.79 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD22 ' C ' ' A' ' 57' ' ' GLY . 28.2 mt -107.64 138.89 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.3 m -154.32 143.93 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.54 155.59 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -152.74 143.21 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.809 HG22 ' HA ' ' A' ' 86' ' ' PRO . 98.1 mt -70.45 124.43 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 p -95.71 -47.93 5.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 148.85 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -144.21 118.07 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -53.99 131.86 41.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -84.22 105.04 14.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.31 20.55 5.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 80' ' ' THR . 1.5 m -115.08 166.7 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.537 HD23 HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -39.14 -66.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.828 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.1 59.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.412 ' OD1' HG22 ' A' ' 72' ' ' VAL . 6.7 t70 177.92 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 22.3 p -85.7 -50.72 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 77' ' ' LEU . 8.8 m -95.98 -36.5 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.32 -43.62 9.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 80' ' ' THR . 99.0 m-70 66.46 45.64 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.901 HD11 HG21 ' A' ' 31' ' ' ILE . 3.6 mt -85.2 174.96 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -153.13 150.99 25.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.809 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.96 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.06 -24.44 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.49 ' HB3' ' CG1' ' A' ' 123' ' ' VAL . 1.2 m-20 -64.81 -176.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 40.4 tt0 -136.88 105.96 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.41 HG11 ' HE3' ' A' ' 93' ' ' TRP . 37.4 t -71.19 107.13 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 122' ' ' VAL . 66.5 mt -71.77 -59.27 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.12 165.5 13.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.867 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 13.6 t-105 -147.81 92.32 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' GLU . 2.1 t-20 71.72 35.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.49 -7.45 81.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -92.94 114.31 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.01 131.59 43.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.609 ' CD2' HD13 ' A' ' 109' ' ' ILE . 15.3 mt -95.55 -22.84 17.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.47 114.18 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.6 -28.27 12.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.76 143.96 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.3 p -78.61 171.42 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -55.06 -41.04 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.49 -43.19 73.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.5 -59.21 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 109' ' ' ILE . 39.8 t -45.81 -40.93 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.2 t80 -72.22 -53.02 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 112' ' ' GLU . 73.7 m-20 -45.39 -32.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.609 HD13 ' CD2' ' A' ' 98' ' ' LEU . 50.9 mt -67.73 -68.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.183 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.6 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 6.0 mt -49.18 -33.86 6.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.421 ' O ' HD22 ' A' ' 111' ' ' LEU . 2.4 tm? -77.18 -35.92 55.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.4 mm-40 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 m -104.26 25.04 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.794 ' HG3' ' HB1' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -74.45 -48.68 5.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.2 Cg_endo -74.99 -25.4 11.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.59 150.62 0.52 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.592 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.04 -38.28 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.553 ' HB2' HD21 ' A' ' 32' ' ' LEU . 4.7 pt20 -133.73 159.65 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.779 ' HB ' HD21 ' A' ' 50' ' ' LEU . 58.1 t -130.54 111.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.585 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -94.96 127.48 41.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.867 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 3.1 mp -118.18 162.04 18.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.7 t -147.62 119.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -116.65 144.71 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -126.06 111.98 15.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -114.95 159.76 20.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.5 p -89.78 111.75 22.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.74 -166.87 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 1.52 7.69 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.2 m 64.52 138.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.2 t -88.1 116.99 26.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p -156.02 167.31 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.989 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.47 99.11 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.85 -84.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.55 -69.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.91 108.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.11 114.18 3.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.8 151.74 18.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.592 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t 72.03 -70.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 51.57 87.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.636 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -114.57 72.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -124.73 76.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -138.12 111.03 7.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -51.25 117.35 8.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.49 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 -31.12 6.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m -108.27 146.54 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.58 125.46 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.431 ' CH2' HG21 ' A' ' 123' ' ' VAL . 95.1 m95 -112.48 109.42 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -135.45 150.22 71.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.05 157.5 42.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -70.7 -179.64 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -44.04 66.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -68.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.19 -21.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -23.02 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -111.68 152.2 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -116.28 113.07 22.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 mm -95.11 119.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -113.26 131.34 9.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 6.3 mtp180 -118.26 112.78 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.747 . . . . 0.0 110.345 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.864 HD13 HD21 ' A' ' 84' ' ' LEU . 1.7 mp -103.95 156.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.0 tm? -141.57 142.69 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.605 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.5 mt -133.63 141.41 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -122.18 142.89 49.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HB2' HG21 ' A' ' 42' ' ' VAL . 2.5 mtpm? -111.69 -27.66 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' HA ' ' N ' ' A' ' 42' ' ' VAL . 62.8 mtm180 -48.75 115.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 41' ' ' SER . 1.7 mt -52.43 -174.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.86 83.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -49.85 62.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.44 42.24 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.492 ' O ' HD12 ' A' ' 37' ' ' LEU . 3.5 m -173.51 136.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 109.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.4 p -87.63 143.72 34.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.04 164.18 33.79 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -37.39 -49.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.41 121.14 12.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -126.35 -71.77 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.35 68.42 0.53 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB1' ' HG3' ' A' ' 114' ' ' LYS . . . -56.04 -51.58 67.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -82.26 -0.42 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 50' ' ' LEU . 1.2 mm? 68.74 -60.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 160.12 -23.33 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -95.96 164.63 12.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.88 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.48 121.6 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.799 HG22 HD11 ' A' ' 52' ' ' LEU . 44.7 t -107.66 149.89 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.418 ' CG2' HG21 ' A' ' 70' ' ' THR . 5.7 t -133.89 112.47 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -100.64 -170.51 29.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.3 12.26 37.63 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.4 ttpt -72.19 119.51 16.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.65 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -83.51 114.51 21.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.4 p -82.34 -167.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -83.31 -13.93 54.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.22 14.19 30.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.42 16.99 61.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -96.16 160.71 14.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.65 HD21 ' SD ' ' A' ' 59' ' ' MET . 35.9 mt -115.38 140.12 49.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -157.22 160.88 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -106.81 124.61 49.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 22.3 m-85 -121.47 142.61 49.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 86' ' ' PRO . 68.5 mt -62.72 139.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.418 HG21 ' CG2' ' A' ' 55' ' ' VAL . 37.0 p -112.19 -46.36 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.77 143.88 23.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.566 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -135.85 111.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -54.35 145.96 16.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 104.52 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.25 26.8 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 80' ' ' THR . 56.1 p -123.74 170.84 10.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.605 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.4 mm? -41.07 -69.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.613 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -68.82 61.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . 7.6 t70 -178.93 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 83' ' ' HIS . 60.9 p -73.03 -28.89 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.376 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 77' ' ' LEU . 15.3 m -117.45 -40.0 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.51 -35.63 22.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.445 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.6 m-70 50.61 32.54 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.591 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.864 HD21 HD13 ' A' ' 31' ' ' ILE . 3.0 mt -67.23 -170.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HA ' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -158.47 149.86 16.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.775 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 93.5 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -25.43 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -60.68 -179.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 49.5 tt0 -137.09 102.36 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 98' ' ' LEU . 4.3 p -74.65 113.68 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.565 HD11 ' CB ' ' A' ' 124' ' ' SER . 73.6 mt -79.87 -56.89 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 12.7 mt-10 -114.59 163.79 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.696 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 29.1 t-105 -140.55 92.9 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 74.01 12.01 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.12 -15.63 13.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -81.6 116.01 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.92 132.17 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.538 HD13 HG13 ' A' ' 106' ' ' VAL . 21.1 mt -99.49 -21.43 15.94 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 91' ' ' LEU . 6.5 mt-30 -57.94 112.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.46 -35.18 4.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -52.07 151.0 3.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.4 p -86.34 173.78 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -53.83 -50.0 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.91 -47.65 84.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.515 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 4.3 mt-10 -50.99 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.664 ' HA ' HD12 ' A' ' 109' ' ' ILE . 89.9 t -42.8 -51.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -58.85 -61.24 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -42.16 -48.97 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 106' ' ' VAL . 43.9 mt -47.72 -62.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.552 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.6 mt -51.06 -36.2 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.537 HD12 ' HD3' ' A' ' 114' ' ' LYS . 3.4 tp -67.85 -27.23 66.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.7 mt-10 -81.28 -12.49 59.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.08 11.21 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.645 ' HG3' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -64.47 -50.92 63.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.99 -22.66 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 3.7 mt-10 -55.67 138.88 69.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.501 ' HA ' HG11 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.95 -35.91 2.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 111.049 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 5.4 pt20 -132.84 167.34 20.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.625 HG12 ' CD1' ' A' ' 121' ' ' LEU . 55.9 t -141.86 118.74 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -101.16 109.7 21.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.696 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 6.8 mp -92.67 165.42 12.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.19 109.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.431 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -107.53 153.97 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.565 ' CB ' HD11 ' A' ' 91' ' ' LEU . 12.0 t -143.28 114.6 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 157.19 27.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p -78.46 126.22 30.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.82 -168.35 0.87 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.49 7.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 t -51.51 -52.24 48.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.7 m -84.74 123.53 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.558 1.161 . . . . 0.0 110.994 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.45 130.21 23.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.967 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -61.51 104.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.26 -84.27 0.21 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.79 114.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.976 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.83 113.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.24 124.49 1.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -105.16 156.05 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.783 . . . . 0.0 109.59 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 0.4 OUTLIER 177.22 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.957 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 9' ' ' SER . 20.3 m80 -159.84 140.92 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 m 65.25 66.51 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.96 79.75 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -117.39 76.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -43.04 149.38 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.0 -33.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.596 HG21 ' O ' ' A' ' 81' ' ' VAL . 23.7 t -102.45 138.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.74 129.47 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 87.0 m95 -118.7 108.91 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 108.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -134.78 152.38 77.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.97 157.63 42.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -72.05 -176.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.8 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.05 -70.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.67 -36.9 1.84 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.44 -23.6 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -106.12 150.85 25.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.97 119.48 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.56 115.02 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.559 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -108.66 138.7 14.85 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.097 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -123.37 123.46 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.587 HD13 HD21 ' A' ' 84' ' ' LEU . 4.1 mp -117.64 114.6 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 33' ' ' LEU . 3.0 tm? -111.78 136.18 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.638 ' CG ' HD12 ' A' ' 50' ' ' LEU . 2.6 mm? -120.06 145.83 46.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.59 127.57 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -31.85 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -38.22 111.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 43' ' ' PRO . 3.1 mt -63.93 -170.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -38.33 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -34.29 61.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.11 52.79 3.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -130.46 6.74 4.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 8.1 t 61.26 133.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.02 173.99 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -44.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 85.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.02 88.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.09 88.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.982 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -51.34 -49.39 61.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.52 15.94 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD12 ' CG ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 69.32 -60.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 166.71 -29.22 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -98.29 165.97 11.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.664 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -111.21 143.5 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.579 ' CG2' HD21 ' A' ' 52' ' ' LEU . 88.8 t -128.21 142.44 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.44 114.02 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.826 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -99.03 -166.31 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.59 18.44 10.63 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -73.22 122.52 22.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.47 110.74 13.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.4 p -76.93 -169.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -84.86 -11.12 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.55 16.85 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.1 32.86 85.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.5 mtt-85 -111.0 164.01 13.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -112.8 139.52 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -161.82 156.8 23.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.34 147.16 27.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 43.4 m-85 -144.25 145.77 32.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.747 HG22 ' HA ' ' A' ' 86' ' ' PRO . 97.0 mt -69.59 124.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -93.1 -48.77 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -148.5 154.38 39.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 29.8 t -126.85 135.55 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -72.85 119.23 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 103.43 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.65 41.16 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.53 166.65 22.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 81' ' ' VAL . 8.0 mt -40.62 -64.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.904 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -72.52 61.68 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t0 176.4 -45.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.6 p -82.84 -39.72 21.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.596 ' O ' HG21 ' A' ' 16' ' ' VAL . 12.1 m -108.42 -39.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.14 -37.05 22.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 62.44 15.8 8.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.558 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.904 HD12 ' HB1' ' A' ' 78' ' ' ALA . 17.4 mt -49.99 167.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -149.62 152.39 34.89 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.747 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.06 2.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.559 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.5 m-20 -80.64 155.16 26.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 48.9 tt0 -107.96 104.21 13.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 98' ' ' LEU . 3.2 p -70.73 95.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 122' ' ' VAL . 16.3 mt -56.83 -59.78 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 38.0 mt-10 -119.11 166.24 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.579 ' CZ3' HD11 ' A' ' 121' ' ' LEU . 12.2 t-105 -142.55 92.52 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 5.0 t-20 78.75 -2.47 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.12 -15.73 5.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.963 ' HB3' HD13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -78.55 126.25 30.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 tp -78.46 119.71 22.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.796 HD12 HG13 ' A' ' 90' ' ' VAL . 10.0 mt -86.52 -14.62 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.546 ' NE2' HD22 ' A' ' 91' ' ' LEU . 67.6 mt-30 -64.41 112.13 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.83 -20.91 32.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 105' ' ' GLU . . . -55.89 151.99 10.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -94.97 157.34 15.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -40.23 -46.76 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.8 -50.05 75.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.586 ' OE2' HD11 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -50.45 -66.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.826 HG21 ' HA3' ' A' ' 56' ' ' GLY . 59.1 t -40.22 -54.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.04 -60.63 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' GLU . 24.5 m-20 -46.83 -54.41 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.963 HD13 ' HB3' ' A' ' 96' ' ' ARG . 92.8 mt -42.87 -64.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 3.8 mt -50.78 -36.12 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.647 HD12 ' HD3' ' A' ' 114' ' ' LYS . 5.5 tp -70.0 -28.98 65.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.7 mm-40 -76.69 -20.4 56.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 15.62 25.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.982 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 7.1 mtpt -67.28 -51.9 32.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.5 Cg_endo -74.99 -30.11 7.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 142.99 0.58 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.8 11.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 7.6 pt20 -140.63 167.0 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.514 ' HB ' HD11 ' A' ' 50' ' ' LEU . 15.5 t -144.24 111.2 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 94' ' ' ASN . 5.6 tt0 -96.12 108.11 20.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.579 HD11 ' CZ3' ' A' ' 93' ' ' TRP . 4.0 mt -90.81 163.19 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 91' ' ' LEU . 20.1 t -147.99 104.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 88' ' ' ASP . 0.5 OUTLIER -107.01 160.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 25.7 t -139.86 129.58 24.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.14 155.8 48.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 p -84.68 121.88 28.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.73 -168.21 1.21 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 176.39 9.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.81 78.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.3 m -68.5 166.44 16.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.16 133.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.01 161.05 13.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.86 65.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.44 92.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -133.98 127.62 32.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.08 -166.65 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -131.31 146.61 52.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.553 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.29 -59.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -74.48 155.73 37.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.62 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.0 m -168.33 74.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -125.07 76.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -71.8 -106.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -46.08 122.73 6.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.601 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -31.24 6.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.752 HG21 ' O ' ' A' ' 81' ' ' VAL . 38.2 t -105.02 141.26 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -153.16 131.39 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 88.3 m95 -123.89 109.01 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' ILE . 48.6 mm-40 -140.13 153.5 69.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.1 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -71.07 -173.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.944 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -40.15 78.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.8 -72.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.99 -23.96 3.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.11 -28.87 69.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -103.46 161.18 14.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -127.18 107.07 9.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.2 mm -84.25 124.59 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.569 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -126.87 134.67 8.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.05 150.43 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.743 HD13 HD21 ' A' ' 84' ' ' LEU . 2.6 mp -143.21 117.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.67 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -116.22 133.98 55.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.055 HD23 HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -118.47 145.51 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -125.95 97.94 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.36 26.13 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -83.94 157.58 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 41' ' ' SER . 16.3 mt -82.94 -172.89 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -67.42 -52.35 40.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -52.04 -41.09 62.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.01 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.86 ' O ' HD12 ' A' ' 37' ' ' LEU . 16.5 m -140.52 122.39 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.591 ' CG2' ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -52.15 140.01 33.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 -172.12 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.515 1.798 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -36.24 -44.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -151.86 -67.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 78.03 40.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.043 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 48.54 68.44 1.28 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' HD3' ' A' ' 114' ' ' LYS . . . -48.3 -24.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -68.21 -6.17 22.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.055 HD22 HD23 ' A' ' 33' ' ' LEU . 2.0 mp 69.22 -60.37 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 145.01 40.77 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -158.81 150.48 20.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.926 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -108.64 133.06 53.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.807 HG22 HD11 ' A' ' 52' ' ' LEU . 25.1 t -118.92 146.43 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.2 t -130.71 112.56 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.28 -166.72 24.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.596 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 52.84 19.85 7.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 1.1 ttpt -77.32 123.1 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.82 115.63 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -91.81 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -86.68 -21.64 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.4 p -80.33 -6.51 58.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.51 22.42 62.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -117.94 168.26 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD22 ' C ' ' A' ' 57' ' ' GLY . 31.0 mt -106.82 135.19 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -143.76 147.32 34.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.15 133.44 42.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 15.4 m-85 -133.25 145.59 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.843 HG22 ' HA ' ' A' ' 86' ' ' PRO . 87.9 mt -68.18 138.13 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.497 HG21 ' CG2' ' A' ' 55' ' ' VAL . 65.7 p -110.4 -45.09 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.15 146.14 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.572 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -141.0 114.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -53.97 129.38 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.66 104.62 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 80' ' ' THR . . . 115.72 22.99 4.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.762 ' O ' HG23 ' A' ' 80' ' ' THR . 0.3 OUTLIER -116.56 177.62 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.47 -60.87 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.914 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -75.06 58.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -177.71 -53.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 76' ' ' SER . 32.6 p -76.06 -41.1 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.752 ' O ' HG21 ' A' ' 16' ' ' VAL . 13.7 m -107.81 -38.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -77.66 -37.18 31.14 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 80' ' ' THR . 97.9 m-70 54.37 43.18 30.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.621 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.914 HD12 ' HB1' ' A' ' 78' ' ' ALA . 5.2 mt -80.37 -174.54 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -157.86 147.62 15.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.843 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.04 86.9 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.96 -30.02 0.2 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.492 ' HB2' HD12 ' A' ' 69' ' ' ILE . 2.7 m-20 -54.76 -176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.525 ' HG3' ' CD1' ' A' ' 68' ' ' PHE . 33.3 tt0 -137.96 101.37 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.484 HG13 HD12 ' A' ' 98' ' ' LEU . 3.5 p -73.34 116.44 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 HE21 ' A' ' 99' ' ' GLN . 49.3 mt -84.49 -58.03 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -112.99 160.72 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.772 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 5.8 t-105 -144.83 92.25 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.4 t-20 71.85 27.16 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.33 -13.37 61.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -83.81 114.85 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 131.04 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.801 ' CD2' HD13 ' A' ' 109' ' ' ILE . 14.9 mt -98.45 -21.17 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.55 HE21 HD22 ' A' ' 91' ' ' LEU . 12.5 mt-30 -54.42 114.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.49 -23.51 18.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.17 138.95 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.2 p -76.19 169.85 17.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.6 -38.32 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.89 -44.74 54.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -55.09 -50.97 67.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 109' ' ' ILE . 47.7 t -58.15 -39.79 74.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.99 -47.6 61.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' GLU . 27.3 m-80 -49.43 -33.05 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.801 HD13 ' CD2' ' A' ' 98' ' ' LEU . 10.8 mt -66.24 -72.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.579 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.7 mt -46.89 -36.56 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.28 -37.79 68.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.1 mm-40 -73.56 -27.33 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.8 m -92.25 24.59 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -70.53 -50.4 14.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -74.97 -27.59 9.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.69 144.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.591 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.03 -32.89 4.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.614 ' HB2' HD21 ' A' ' 32' ' ' LEU . 13.6 pt20 -139.32 162.18 35.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.946 ' HB ' HD21 ' A' ' 50' ' ' LEU . 93.0 t -133.73 120.39 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.591 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -105.73 132.0 52.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.772 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 5.0 mp -118.87 163.39 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 4.6 t -145.54 111.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 88' ' ' ASP . 0.1 OUTLIER -110.35 143.29 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.459 ' HB2' HD11 ' A' ' 91' ' ' LEU . 44.0 t -111.89 109.46 19.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.57 162.34 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.5 p -103.61 103.13 13.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 60.12 153.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.17 31.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 m 55.73 85.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 76.0 p -76.05 147.47 38.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.955 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -123.13 87.15 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 m -42.82 107.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.42 78.43 1.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 p -168.95 124.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -173.79 101.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 8' ' ' HIS . . . 71.04 -108.13 2.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 3.7 t-160 80.57 -63.98 0.19 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 0.756 . . . . 0.0 109.593 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.6 m -109.27 133.45 53.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -174.94 -62.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 p -105.71 77.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.91 77.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.16 -155.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -63.27 147.03 95.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.655 ' HB3' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 -22.37 14.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -114.26 138.52 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.96 133.64 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CH2' HG21 ' A' ' 123' ' ' VAL . 91.8 m95 -130.07 109.2 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.477 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 29.4 mm-40 -136.85 153.43 75.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.537 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.15 41.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.6 p -79.04 -176.68 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -48.91 -48.96 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.7 -66.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.18 -32.1 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 127' ' ' GLY . 1.0 OUTLIER -50.63 -37.21 39.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -99.32 140.51 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -107.95 111.91 24.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' GLN . 7.9 mm -88.25 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.34 134.49 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 104.25 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 84' ' ' LEU . 2.8 mp -92.04 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 33' ' ' LEU . 1.7 tm? -137.86 130.13 29.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.947 ' HB2' HG13 ' A' ' 119' ' ' VAL . 21.7 mt -121.52 145.11 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -121.27 169.95 10.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ARG . 6.8 mttp -137.42 -47.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' NH1' ' CA ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -38.16 132.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 43' ' ' PRO . 4.0 mt -70.75 -172.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -37.69 84.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.29 -43.26 99.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' NH1' ' A' ' 36' ' ' ARG . . . 115.54 55.52 0.36 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -164.48 139.99 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG21 ' HA ' ' A' ' 117' ' ' PRO . 56.0 t -75.34 126.61 87.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.623 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.92 177.95 7.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -44.65 -28.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.36 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 t -73.56 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.67 88.81 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -60.52 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -85.63 4.96 33.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.85 ' HG ' HD13 ' A' ' 33' ' ' LEU . 2.2 mm? 68.76 -61.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.23 -30.15 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.825 HD22 ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -95.95 168.17 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 109.232 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.825 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.3 138.13 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG2' HD21 ' A' ' 52' ' ' LEU . 87.2 t -114.24 145.91 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.707 HG23 HG21 ' A' ' 70' ' ' THR . 3.5 t -129.56 112.8 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -104.42 -165.63 24.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 54.14 18.38 9.24 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -75.56 126.28 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.96 115.45 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -86.41 -167.64 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.99 5.5 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.87 9.79 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.28 20.53 73.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -109.56 174.92 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 57' ' ' GLY . 39.8 mt -112.73 142.02 45.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 78.4 m -152.5 153.4 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -150.36 145.0 25.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.776 HG22 ' HA ' ' A' ' 86' ' ' PRO . 98.2 mt -67.99 130.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.707 HG21 HG23 ' A' ' 55' ' ' VAL . 18.0 p -98.96 -51.53 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -148.03 144.17 27.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -135.25 112.15 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -53.99 138.95 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.63 103.37 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 116.06 27.73 2.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.91 -175.15 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.653 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.0 mm? -55.46 -58.31 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.787 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -79.08 64.44 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.422 ' O ' ' ND1' ' A' ' 83' ' ' HIS . 16.5 t70 178.01 -52.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.482 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 23.8 p -90.12 -24.31 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 t -113.7 -37.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -91.58 -36.72 6.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 79' ' ' ASP . 95.1 m-70 57.02 36.18 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.63 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.787 HD12 ' HB1' ' A' ' 78' ' ' ALA . 8.3 mt -70.53 -170.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -159.16 142.9 10.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.776 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.29 -25.24 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.77 167.65 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 123' ' ' VAL . 50.8 tt0 -115.71 107.31 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 43.7 t -71.16 110.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.618 HD11 ' CB ' ' A' ' 124' ' ' SER . 87.4 mt -73.9 -57.34 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -129.69 159.36 36.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 121' ' ' LEU . 5.1 t-105 -135.26 96.43 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.7 t-20 73.46 20.06 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.45 46.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.582 ' HB3' HD13 ' A' ' 109' ' ' ILE . 15.6 mmt-85 -90.09 112.44 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 133.37 48.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -96.11 -24.41 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.28 113.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.19 -31.4 7.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.103 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.33 141.61 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.4 p -73.29 173.81 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.07 -35.46 75.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -76.57 -43.53 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -54.65 -59.87 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.542 HG21 ' HA3' ' A' ' 56' ' ' GLY . 70.7 t -47.64 -46.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.44 -52.23 59.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 112' ' ' GLU . 37.1 m-20 -49.89 -47.12 52.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.582 HD13 ' HB3' ' A' ' 96' ' ' ARG . 96.9 mt -47.9 -65.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.556 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.4 mt -52.12 -27.37 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.482 HD12 ' HD3' ' A' ' 114' ' ' LYS . 3.3 tp -77.6 -27.66 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ILE . 0.9 OUTLIER -81.75 -13.88 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.405 ' HG ' ' HE1' ' A' ' 93' ' ' TRP . 1.9 m -97.35 12.9 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -65.74 -52.85 39.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -32.1 5.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.28 146.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.558 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 -39.15 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -131.1 -177.5 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.947 HG13 ' HB2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -154.54 106.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.687 HD22 ' CE3' ' A' ' 93' ' ' TRP . 24.3 mt -91.9 164.69 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 2.8 t -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.529 HG21 ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -131.47 153.22 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.618 ' CB ' HD11 ' A' ' 91' ' ' LEU . 2.8 t -144.14 111.52 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.95 162.85 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 p -100.38 113.1 25.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -76.8 -163.15 16.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.4 m -117.18 104.94 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.957 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.27 90.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.68 167.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.5 121.38 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.9 -72.63 0.4 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.88 129.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.8 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -156.64 147.87 22.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.2 108.99 0.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.1 173.78 12.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -96.29 160.58 14.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.81 153.22 40.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.568 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.1 77.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -119.81 77.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.1 -109.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -89.17 145.33 34.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.59 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.06 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG12 HG23 ' A' ' 31' ' ' ILE . 2.8 m -102.71 144.18 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.12 122.51 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.543 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 97.0 m95 -112.58 109.35 18.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -135.74 149.61 69.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.493 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 156.1 43.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.1 p -69.42 -170.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -45.68 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -72.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.19 -30.96 2.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 127' ' ' GLY . 47.1 m-20 -54.91 -29.75 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -101.63 159.36 15.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -125.97 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' GLN . 19.7 mm -92.73 117.28 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -114.03 136.6 13.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.99 115.1 19.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.818 HD13 HD21 ' A' ' 84' ' ' LEU . 4.7 mp -99.02 158.81 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' N ' ' A' ' 33' ' ' LEU . 3.4 tm? -141.19 140.73 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 77' ' ' LEU . 5.2 mt -133.96 142.38 47.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -124.28 153.3 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -118.53 -41.74 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -40.6 115.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.82 174.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -49.56 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -52.78 -45.52 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 45.04 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.4 p -145.07 131.88 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.95 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 117' ' ' PRO . 73.0 t -74.56 132.21 78.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.42 18.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.66 -33.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 103.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.61 43.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 87.62 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -52.74 -52.64 55.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -87.5 13.08 10.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 67.1 -73.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 168.56 39.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -157.67 157.57 33.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.867 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -105.87 135.21 47.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.753 ' CG2' HD11 ' A' ' 52' ' ' LEU . 89.8 t -124.51 146.94 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 103' ' ' PHE . 2.4 p -135.66 112.71 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.68 -172.63 26.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.783 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 62.8 11.41 36.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.8 OUTLIER -72.46 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -76.24 114.38 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -84.84 -164.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.68 -20.7 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 9.03 36.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.037 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.76 19.03 72.89 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -101.06 165.93 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.783 HD22 ' O ' ' A' ' 57' ' ' GLY . 59.2 mt -115.78 137.77 51.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.34 158.42 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.325 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 106' ' ' VAL . . . -90.95 133.37 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' A' ' 89' ' ' GLU . 80.8 m-85 -122.53 145.87 47.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.751 HG22 ' HA ' ' A' ' 86' ' ' PRO . 89.7 mt -84.62 122.41 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.707 HG21 ' HE2' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -91.14 -45.91 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.16 160.66 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 40.8 t -138.28 117.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' GLY . 3.9 tptm -54.54 141.08 32.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.31 102.84 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.18 44.73 1.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.595 ' N ' HG23 ' A' ' 80' ' ' THR . 6.5 m -137.39 172.95 12.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.4 mm? -42.86 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.612 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -68.86 63.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 77' ' ' LEU . 4.3 t70 175.24 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 76' ' ' SER . 59.2 p -76.12 -27.88 57.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG23 HD23 ' A' ' 33' ' ' LEU . 5.3 m -118.89 -40.52 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 -45.02 8.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 69.56 9.42 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.818 HD21 HD13 ' A' ' 31' ' ' ILE . 9.3 mt -46.61 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -149.47 153.69 37.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.751 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.0 107.63 2.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.47 -27.01 1.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.523 ' HB3' HG11 ' A' ' 123' ' ' VAL . 0.6 OUTLIER -67.71 -178.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 68' ' ' PHE . 42.4 tt0 -135.26 110.12 8.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 122' ' ' VAL . 21.4 t -75.37 123.8 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 124' ' ' SER . 12.5 mt -95.05 -59.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 122' ' ' VAL . 38.3 mt-10 -113.65 148.77 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.916 ' CZ3' HD21 ' A' ' 121' ' ' LEU . 7.2 t-105 -136.06 93.87 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 74.28 17.33 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.32 -10.83 43.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -84.26 113.64 21.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 tp -66.72 132.87 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 106' ' ' VAL . 35.8 mt -100.76 -20.96 15.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -60.0 117.1 4.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.56 -33.11 5.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.04 144.09 55.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 102' ' ' THR . 6.1 p -76.14 175.8 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CD1' HG23 ' A' ' 55' ' ' VAL . 89.7 t80 -58.74 -48.18 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.42 -42.12 99.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -60.33 -55.42 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 67' ' ' ALA . 36.3 t -53.56 -40.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.8 -54.23 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -42.35 -41.51 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.494 HD13 ' CD2' ' A' ' 98' ' ' LEU . 4.7 mt -55.12 -67.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.1 mt -46.01 -27.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.506 HD23 ' CD ' ' A' ' 114' ' ' LYS . 1.0 OUTLIER -74.79 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.37 -21.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.18 25.01 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HG2' ' HB1' ' A' ' 48' ' ' ALA . 5.3 mtpt -73.35 -50.94 6.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.97 -25.1 12.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -40.9 141.88 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.462 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.98 -31.49 6.19 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pt20 -142.0 170.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.683 HG12 ' CD1' ' A' ' 121' ' ' LEU . 3.0 t -144.04 122.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -104.49 106.13 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.916 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 1.9 mp -98.78 161.38 13.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.748 HG22 ' H ' ' A' ' 92' ' ' GLU . 1.3 m -145.77 139.85 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -134.39 142.72 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.658 ' HB2' HD11 ' A' ' 91' ' ' LEU . 3.4 t -106.23 125.84 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.4 163.38 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.0 p -114.07 104.46 12.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -77.87 -166.2 27.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.53 4.05 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.6 p -121.04 153.67 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.0 t -58.73 146.68 35.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.097 . . . . 0.0 110.961 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 p -122.94 143.46 49.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.998 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.94 162.11 28.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.46 126.24 7.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -176.52 82.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -172.93 155.06 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.85 -75.43 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 52.53 98.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.603 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.4 p -101.68 139.37 37.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -106.48 175.27 5.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.578 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.75 75.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.02 78.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 23.3 m-70 -116.21 141.09 27.27 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HB3' HD23 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.02 -40.14 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 m -100.65 143.85 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.44 123.93 10.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 86.6 m95 -109.55 109.32 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' ILE . 1.7 mp0 -133.68 150.4 74.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 159.41 41.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -76.47 172.7 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -51.0 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -64.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.77 -30.28 3.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -51.62 -24.48 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' NH2' ' HB3' ' A' ' 126' ' ' SER . 3.9 mmt180 -111.99 155.29 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -120.79 119.08 31.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' GLN . 15.9 mm -94.54 110.6 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.26 135.62 12.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' C ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 135.41 54.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.754 HD13 HD21 ' A' ' 84' ' ' LEU . 4.0 mp -131.52 111.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 15' ' ' PRO . 5.3 tp -108.8 116.3 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.782 HD23 HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -103.71 145.43 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 118' ' ' GLN . 12.7 t-20 -136.62 123.67 21.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HB2' HG22 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.82 -28.67 14.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -39.0 106.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 41' ' ' SER . 3.4 mt -51.2 178.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -49.86 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.16 -37.37 54.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.65 48.4 0.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 37' ' ' LEU . 45.1 m -155.23 136.01 13.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.815 HG21 ' HA ' ' A' ' 117' ' ' PRO . 95.4 t -75.78 135.87 70.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD2' HG13 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.41 -33.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.84 78.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -53.08 -56.02 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . 178.5 70.43 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.158 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.488 ' HB1' ' HG2' ' A' ' 114' ' ' LYS . . . -49.3 -46.19 46.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.98 -14.92 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.969 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.782 HD22 HD23 ' A' ' 33' ' ' LEU . 1.8 mp 68.85 7.26 6.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.05 44.78 44.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -157.71 155.63 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.697 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.8 144.71 43.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.726 HG23 HD11 ' A' ' 52' ' ' LEU . 57.3 t -134.82 143.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.673 HG23 ' CE1' ' A' ' 103' ' ' PHE . 5.7 p -124.47 111.09 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -98.49 -174.62 32.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.775 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 57.96 14.65 17.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -71.48 119.06 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.494 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -76.88 112.51 13.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 p -83.37 -166.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.461 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.24 -8.09 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.22 -4.39 35.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.13 7.97 84.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.74 158.42 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 57' ' ' GLY . 43.4 mt -107.59 144.14 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -158.61 152.54 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.707 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -87.28 135.48 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 96.3 m-85 -127.22 138.09 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 86' ' ' PRO . 72.0 mt -74.53 124.81 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.455 HG21 ' HE2' ' A' ' 53' ' ' LYS . 21.8 p -94.14 -45.05 7.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -151.21 155.9 39.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 78' ' ' ALA . 47.8 t -131.38 130.83 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -61.41 112.53 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 104.43 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.7 45.75 1.74 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -139.49 170.24 16.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 81' ' ' VAL . 4.3 mt -43.76 -65.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.589 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.68 61.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t0 176.95 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.528 ' HG1' ' H ' ' A' ' 80' ' ' THR . 29.1 p -87.5 -41.47 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.505 HG23 ' CD1' ' A' ' 33' ' ' LEU . 4.9 m -103.51 -37.38 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.27 -36.18 24.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 80' ' ' THR . 87.7 m-70 64.36 18.59 11.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.754 HD21 HD13 ' A' ' 31' ' ' ILE . 12.7 mt -59.72 166.91 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 158.73 32.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.77 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.98 111.59 3.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.82 -20.85 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CG ' HG21 ' A' ' 123' ' ' VAL . 1.2 m-20 -70.96 175.11 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 91' ' ' LEU . 43.2 tt0 -129.81 104.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.676 HG13 ' HB3' ' A' ' 67' ' ' ALA . 2.4 p -73.66 100.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -62.79 -61.59 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.851 ' OE2' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -113.18 175.01 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CH2' HD13 ' A' ' 50' ' ' LEU . 12.2 t-105 -150.79 94.72 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 107.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.46 16.2 4.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.87 -7.61 35.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 12.8 mmt-85 -89.64 125.01 35.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.851 HD12 ' OE2' ' A' ' 92' ' ' GLU . 1.7 tp -75.47 128.46 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.453 HD22 HG13 ' A' ' 106' ' ' VAL . 50.9 mt -95.5 -17.94 21.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -62.5 119.82 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.95 -41.49 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 143.6 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 106' ' ' VAL . 6.8 p -75.33 174.18 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.673 ' CE1' HG23 ' A' ' 55' ' ' VAL . 73.3 t80 -59.02 -48.16 82.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.28 -41.81 97.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.17 -51.75 67.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 102' ' ' THR . 92.7 t -52.31 -43.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 2.9 t80 -63.01 -47.13 84.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -51.63 -33.2 32.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 106' ' ' VAL . 25.6 mt -68.98 -52.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.548 HG23 ' CZ2' ' A' ' 93' ' ' TRP . 5.9 mt -63.23 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.535 ' O ' HD22 ' A' ' 111' ' ' LEU . 1.6 tm? -71.95 -32.5 67.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.5 -22.98 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -94.42 24.75 4.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 4.5 mtpp -72.77 -48.08 8.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -74.93 -4.56 15.59 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 5.9 mt-10 -72.64 135.07 81.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.815 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.96 -34.93 3.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 16.0 mt-30 -122.24 174.1 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.615 ' HB ' HD21 ' A' ' 50' ' ' LEU . 60.0 t -155.18 103.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -92.15 107.9 19.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.441 ' CD2' HG12 ' A' ' 119' ' ' VAL . 6.9 mt -93.22 162.25 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 91' ' ' LEU . 22.5 t -147.71 111.57 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 124' ' ' SER . 0.9 OUTLIER -111.57 160.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.458 ' HB3' HD21 ' A' ' 91' ' ' LEU . 12.3 t -140.95 107.2 5.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.23 165.44 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.402 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 2.4 p -92.33 116.03 28.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.93 153.13 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.95 11.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.4 t -50.63 137.56 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.2 m -70.4 105.55 3.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 111.012 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.29 82.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -121.92 122.84 40.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.035 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.48 -62.02 0.3 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.59 138.47 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.961 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -152.64 134.14 14.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.98 90.93 1.08 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.73 153.09 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.21 155.84 41.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -46.56 127.22 9.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.602 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.85 79.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.39 77.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.07 81.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -43.58 148.17 0.73 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.634 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.29 2.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 31' ' ' ILE . 3.4 m -103.28 154.38 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.79 120.23 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.433 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE3' ' HA3' ' A' ' 29' ' ' GLY . 92.1 m95 -106.78 109.41 21.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -133.69 150.84 75.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.606 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 158.17 42.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.7 p -70.77 -173.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -43.74 85.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.82 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.55 -21.86 3.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.577 1.173 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -65.18 -35.45 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.241 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -95.13 164.99 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.236 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -129.83 119.02 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mm -98.26 111.0 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -103.3 146.57 16.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.9 mtm180 -128.54 127.86 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.626 HG23 ' HA2' ' A' ' 82' ' ' GLY . 3.7 mp -119.11 108.2 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.83 123.25 35.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.87 ' CB ' HG13 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -110.89 122.77 48.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -98.55 168.11 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ARG . 1.8 mtpp -142.66 -46.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.1 mtt180 -37.99 111.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.48 -139.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -43.91 21.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -26.6 60.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.43 53.9 5.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -125.86 1.59 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 ' HA ' ' A' ' 117' ' ' PRO . 40.5 t 59.96 129.23 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -75.02 158.55 42.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -52.84 9.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.86 -77.41 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 7.4 p 69.32 57.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.9 75.56 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -56.75 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.3 11.5 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.836 HD11 HG11 ' A' ' 119' ' ' VAL . 1.6 mm? 68.58 -61.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 170.94 -31.74 0.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.982 HD13 HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -96.16 171.35 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.712 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.85 107.07 12.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 52' ' ' LEU . 47.9 t -89.55 140.53 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.728 ' CG2' HG21 ' A' ' 70' ' ' THR . 3.4 t -122.36 112.54 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA3' HG21 ' A' ' 106' ' ' VAL . . . -101.16 -175.45 28.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 103' ' ' PHE . . . 62.73 12.01 39.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.98 130.55 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.781 ' SD ' HD21 ' A' ' 65' ' ' LEU . 1.2 tpt -91.67 111.89 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.3 p -80.52 -162.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.61 0.41 56.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.99 6.71 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.43 6.36 70.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.85 160.26 15.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD21 ' SD ' ' A' ' 59' ' ' MET . 43.9 mt -112.58 143.51 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 2.1 t -160.45 159.38 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -102.58 127.86 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 44.9 m-85 -124.03 142.24 51.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.982 HG23 HD13 ' A' ' 52' ' ' LEU . 76.5 mt -64.77 133.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.728 HG21 ' CG2' ' A' ' 55' ' ' VAL . 18.5 p -104.69 -51.51 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -144.55 149.99 36.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 78' ' ' ALA . 61.7 t -126.83 118.68 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 132.58 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 102.63 8.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 47.48 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 80' ' ' THR . 50.4 m -138.6 164.35 29.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 3.9 mm? -39.16 -61.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.687 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -72.11 59.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 176.42 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 76' ' ' SER . 24.0 p -76.78 -42.25 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 33' ' ' LEU . 16.1 m -107.65 -40.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.626 ' HA2' HG23 ' A' ' 31' ' ' ILE . . . -79.32 -42.06 12.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.551 ' CE1' ' O ' ' A' ' 80' ' ' THR . 53.2 m-70 65.3 10.96 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.597 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD21 HD13 ' A' ' 31' ' ' ILE . 8.2 mt -48.21 173.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -153.64 156.12 32.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.594 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.97 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.1 -25.58 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -179.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.25 107.48 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.69 HG13 HD12 ' A' ' 98' ' ' LEU . 2.8 p -74.46 101.77 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 124' ' ' SER . 49.4 mt -64.0 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -115.44 162.58 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.629 ' CD2' ' CD2' ' A' ' 121' ' ' LEU . 5.7 t-105 -141.16 96.32 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 119' ' ' VAL . 1.8 t-20 70.39 25.72 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.49 -9.14 60.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.477 ' HB3' HD13 ' A' ' 109' ' ' ILE . 13.9 mmt180 -88.77 118.77 28.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.3 132.93 42.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.69 HD12 HG13 ' A' ' 90' ' ' VAL . 14.6 mt -98.68 -22.22 16.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -57.22 114.08 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.44 -27.32 15.94 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.92 144.13 49.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.5 p -79.31 172.15 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.401 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 60.2 t80 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.24 -50.79 59.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.47 -60.56 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.557 HG21 ' HA3' ' A' ' 56' ' ' GLY . 74.0 t -46.05 -51.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -58.47 -60.72 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.1 m-80 -40.2 -50.03 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 96' ' ' ARG . 90.9 mt -47.96 -65.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.516 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 2.9 mt -46.87 -40.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.574 HD12 ' HD3' ' A' ' 114' ' ' LYS . 10.3 tp -67.85 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.3 mt-10 -74.39 -5.05 40.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -112.77 12.88 19.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.574 ' HD3' HD12 ' A' ' 111' ' ' LEU . 22.0 mtpt -65.85 -51.98 44.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -40.94 145.03 0.58 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.484 ' HA ' HG21 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.03 -27.63 9.81 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -146.84 176.86 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.87 HG13 ' CB ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -149.55 111.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.06 102.89 14.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.629 ' CD2' ' CD2' ' A' ' 93' ' ' TRP . 16.4 mt -93.11 165.08 13.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.7 t -143.55 126.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.457 ' CG2' ' CH2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -118.55 146.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.547 ' HB2' HD11 ' A' ' 91' ' ' LEU . 32.4 t -125.33 127.09 46.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -137.98 162.02 35.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 p -90.48 122.11 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.78 152.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.25 42.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.0 m -69.54 170.92 9.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.032 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.7 t -137.93 157.71 45.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -98.71 152.57 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.998 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -136.49 -59.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.38 154.95 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -112.08 -61.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -50.36 -58.74 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.12 85.94 0.08 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -73.28 123.73 24.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.596 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.43 -67.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.11 -73.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.0 p -175.69 77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -114.79 71.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.64 100.95 10.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.662 ' CE1' ' CG2' ' A' ' 17' ' ' THR . 0.6 OUTLIER -45.27 113.89 2.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.597 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -23.67 13.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.766 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.75 142.27 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.662 ' CG2' ' CE1' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -151.54 121.34 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.711 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 88.2 m95 -111.21 109.59 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -134.94 150.93 74.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.53 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 p -64.57 -175.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -52.87 57.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -74.85 -81.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.78 46.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.15 -41.91 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -107.57 142.44 37.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.28 107.35 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.8 mm -85.32 122.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA3' ' CE3' ' A' ' 18' ' ' TRP . . . -117.62 118.36 4.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -111.46 107.69 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.711 HD11 ' CZ2' ' A' ' 18' ' ' TRP . 2.7 mp -102.94 156.32 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.794 HD13 ' N ' ' A' ' 33' ' ' LEU . 2.9 tm? -141.56 143.58 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.882 HD13 HD12 ' A' ' 50' ' ' LEU . 3.2 mt -134.47 145.26 48.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -133.42 132.48 41.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HG2' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -115.86 -10.5 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -41.06 132.03 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 43' ' ' PRO . 20.0 mt -76.88 -172.18 2.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -58.52 -31.41 67.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.09 -31.78 27.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.43 48.44 4.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' VAL . 16.2 m -128.67 5.22 5.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG22 ' HG2' ' A' ' 35' ' ' LYS . 36.8 t 60.34 132.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.683 ' HB3' HD11 ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 164.19 33.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -38.48 -51.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.93 107.57 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -103.83 -70.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.11 80.11 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.81 -60.09 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.26 3.84 53.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.882 HD12 HD13 ' A' ' 33' ' ' LEU . 1.8 mm? 68.75 6.78 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.7 -13.13 65.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -103.17 163.39 12.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.833 ' N ' HD12 ' A' ' 52' ' ' LEU . 80.1 tttt -120.45 142.9 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.75 ' CG2' HD11 ' A' ' 52' ' ' LEU . 75.6 t -131.56 136.62 56.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.859 HG23 HG21 ' A' ' 70' ' ' THR . 3.5 t -114.66 113.05 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.61 -167.7 32.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 53.58 18.93 8.36 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 68' ' ' PHE . 1.8 ttpt -71.1 120.8 17.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.25 115.86 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.467 ' HG1' ' C ' ' A' ' 64' ' ' ARG . 18.3 p -85.12 -171.01 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -86.16 -6.39 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.51 15.22 24.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.61 71.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' C ' ' HG1' ' A' ' 60' ' ' THR . 1.0 OUTLIER -104.1 167.69 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 57' ' ' GLY . 27.9 mt -109.48 143.98 38.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 m -152.03 165.01 36.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' VAL . . . -115.41 143.53 45.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 31.6 m-85 -144.48 144.24 31.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.856 HG22 ' HA ' ' A' ' 86' ' ' PRO . 87.8 mt -63.86 140.79 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.859 HG21 HG23 ' A' ' 55' ' ' VAL . 30.9 p -111.89 -46.38 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 144.85 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.568 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.84 109.63 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -53.61 149.28 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 108.34 19.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.466 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 115.08 19.59 5.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -111.06 171.6 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.838 HD22 ' HB3' ' A' ' 33' ' ' LEU . 4.4 mt -44.76 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.793 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -72.81 59.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -169.36 -52.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.555 ' O ' ' CE1' ' A' ' 83' ' ' HIS . 30.8 p -86.53 -38.64 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.597 HG23 ' CD2' ' A' ' 33' ' ' LEU . 16.5 m -104.94 -38.87 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.686 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -79.17 -45.86 8.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.555 ' CE1' ' O ' ' A' ' 80' ' ' THR . 95.8 m-70 64.03 34.01 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -71.99 -172.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.412 ' HA ' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -160.07 150.81 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.856 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.93 90.77 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.46 -37.59 0.25 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.537 ' HB3' HG11 ' A' ' 123' ' ' VAL . 3.4 m-20 -50.4 179.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 0.727 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.533 ' C ' HG12 ' A' ' 123' ' ' VAL . 53.7 tt0 -136.77 100.83 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 98' ' ' LEU . 7.2 p -74.95 123.69 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD22 HE21 ' A' ' 99' ' ' GLN . 54.4 mt -91.57 -54.26 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -111.7 160.02 17.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 18.2 t-105 -142.81 92.14 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 93' ' ' TRP . 2.1 t-20 76.85 13.85 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.73 -10.57 30.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.13 118.85 25.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.73 131.32 44.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 106' ' ' VAL . 26.0 mt -97.07 -22.56 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.447 HE21 HD22 ' A' ' 91' ' ' LEU . 10.5 mt-30 -56.94 117.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.25 -31.16 7.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.18 143.95 51.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 p -81.08 167.04 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -46.04 -47.34 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.95 -54.4 35.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.59 -56.31 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.609 ' HA ' HD12 ' A' ' 109' ' ' ILE . 83.8 t -50.96 -51.7 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ASN . 7.1 t80 -59.05 -58.48 8.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' TYR . 41.6 m-20 -40.23 -48.54 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 106' ' ' VAL . 30.9 mt -51.03 -56.91 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.2 mt -56.14 -23.72 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.42 -25.26 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.12 -18.12 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -95.04 7.66 45.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -58.68 -51.87 78.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 114' ' ' LYS . 18.4 Cg_endo -75.01 -30.54 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.83 145.84 0.43 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.557 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.97 -33.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 4.6 pt20 -136.41 179.05 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.0 t -147.46 108.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.07 122.35 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.445 ' CD2' ' CE3' ' A' ' 93' ' ' TRP . 8.1 mt -106.01 161.4 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -148.68 102.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.537 HG11 ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -108.91 143.94 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -116.12 117.62 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.3 163.89 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.8 122.75 44.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.89 -176.17 26.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 140.06 25.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.546 1.814 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.7 t -150.93 -53.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.5 p -160.65 86.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 111.022 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -76.24 103.62 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -174.8 144.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.75 112.17 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -150.07 132.14 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 110.005 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.6 157.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.73 -174.48 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -144.6 61.99 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 109.623 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 t -134.14 81.56 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.59 164.92 31.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.545 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 m -103.87 171.14 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t0 65.41 70.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -55.66 -94.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.4 147.68 66.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.626 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.69 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.862 HG11 ' O ' ' A' ' 81' ' ' VAL . 1.1 m -97.76 147.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -149.74 122.56 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.587 ' CZ2' HD11 ' A' ' 31' ' ' ILE . 89.9 m95 -117.67 109.07 16.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 19.6 mm-40 -140.21 152.31 66.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.04 164.1 33.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -64.75 170.1 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -42.75 -57.1 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.54 -70.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.76 43.26 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.31 -45.27 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -100.05 148.8 24.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.68 128.31 48.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.4 mm -109.26 99.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' ' CZ3' ' A' ' 18' ' ' TRP . . . -95.53 126.17 8.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HG3' HG13 ' A' ' 122' ' ' VAL . 3.3 mtt180 -119.91 116.08 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.944 HD13 HD21 ' A' ' 84' ' ' LEU . 3.8 mp -107.24 136.95 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -128.7 134.06 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -119.65 145.11 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -116.16 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.658 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -111.23 -19.55 12.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HB3' ' HA2' ' A' ' 40' ' ' GLY . 7.1 mtp-105 -65.2 115.64 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD11 ' CD ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -68.93 -143.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -48.89 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -42.7 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 36' ' ' ARG . . . 94.71 44.11 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.752 ' O ' ' O ' ' A' ' 42' ' ' VAL . 59.9 m -140.65 0.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.752 ' O ' ' O ' ' A' ' 41' ' ' SER . 5.3 p 48.27 143.97 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 166.25 29.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -38.16 -50.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -150.96 111.38 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.0 44.71 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 62.32 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' A' ' 114' ' ' LYS . . . -53.13 -32.37 47.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -83.58 5.01 25.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 50' ' ' LEU . 2.6 mm? 68.68 -59.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' MET . . . 153.49 -20.99 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.786 HD21 HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -97.14 159.14 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.648 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.01 144.65 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.786 HG23 HD21 ' A' ' 52' ' ' LEU . 75.3 t -135.71 138.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.629 ' CG2' HG21 ' A' ' 70' ' ' THR . 12.4 t -114.32 112.28 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.32 -173.29 34.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 65' ' ' LEU . . . 64.75 9.5 39.47 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.8 129.42 39.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.415 ' SD ' HD21 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -92.14 123.48 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 64' ' ' ARG . 18.1 p -95.45 -163.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.78 -28.93 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 p -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.78 -15.48 48.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' HG23 ' A' ' 60' ' ' THR . 9.0 mtt85 -79.37 142.78 35.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 57' ' ' GLY . 17.7 mt -89.86 148.33 23.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -154.45 164.18 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HB1' ' CG1' ' A' ' 54' ' ' VAL . . . -110.17 144.73 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 66' ' ' CYS . 41.7 m-85 -140.19 149.41 42.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.827 HG22 ' HA ' ' A' ' 86' ' ' PRO . 86.3 mt -69.4 140.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.629 HG21 ' CG2' ' A' ' 55' ' ' VAL . 32.7 p -116.43 -34.03 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.28 142.52 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' HD3' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -136.72 112.65 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -55.68 148.67 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.57 109.64 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 80' ' ' THR . . . 113.9 21.89 5.51 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.438 ' N ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -118.08 166.1 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.038 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 mm? -43.08 -60.07 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB1' HD12 ' A' ' 84' ' ' LEU . . . -74.54 57.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -179.91 -51.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.477 ' CG2' ' HA2' ' A' ' 75' ' ' GLY . 41.2 p -75.97 -34.51 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.862 ' O ' HG11 ' A' ' 16' ' ' VAL . 6.9 m -114.76 -38.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.31 -31.79 33.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.452 ' NE2' ' O ' ' A' ' 80' ' ' THR . 91.4 m-70 48.27 35.09 5.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.944 HD21 HD13 ' A' ' 31' ' ' ILE . 6.4 mt -66.65 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.509 ' HA ' HG11 ' A' ' 72' ' ' VAL . 16.0 mmt180 -158.54 150.67 17.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.827 ' HA ' HG22 ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.06 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.34 42.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.668 ' OD2' HG11 ' A' ' 123' ' ' VAL . 0.4 OUTLIER -126.77 -178.32 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -134.71 105.47 6.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' HB ' HD12 ' A' ' 98' ' ' LEU . 3.1 t -76.72 119.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 124' ' ' SER . 99.2 mt -81.04 -55.69 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 96' ' ' ARG . 26.0 mt-10 -125.36 160.64 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.58 ' CZ2' HG12 ' A' ' 110' ' ' ILE . 14.4 t-105 -136.66 92.49 2.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 108.039 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 120' ' ' GLU . 1.3 t-20 72.19 24.49 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.34 -15.83 46.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -83.32 113.02 20.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.33 132.0 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.557 HD13 HG13 ' A' ' 106' ' ' VAL . 19.6 mt -95.03 -23.44 17.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -53.61 115.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.087 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.06 -32.31 6.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.05 142.24 25.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.9 p -77.33 177.16 8.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.167 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.411 ' N ' ' HA3' ' A' ' 57' ' ' GLY . 17.0 t80 -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.0 -37.74 78.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.29 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.642 ' HA ' HD12 ' A' ' 109' ' ' ILE . 78.2 t -47.19 -49.62 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -59.41 -51.72 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -51.83 -44.87 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 106' ' ' VAL . 60.3 mt -50.95 -62.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.58 HG12 ' CZ2' ' A' ' 93' ' ' TRP . 4.5 mt -52.12 -26.3 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.63 -27.87 37.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 109' ' ' ILE . 1.4 mt-10 -70.6 -31.82 68.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.8 p -90.76 24.82 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.543 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -61.0 -57.24 27.76 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.04 -25.87 11.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -37.91 135.74 0.8 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.436 ' HA ' HG11 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 -21.11 16.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.84 170.73 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.593 HG12 ' CD1' ' A' ' 121' ' ' LEU . 48.0 t -145.36 125.07 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 94' ' ' ASN . 3.4 tt0 -108.89 118.46 36.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.593 ' CD1' HG12 ' A' ' 119' ' ' VAL . 3.8 mp -104.69 161.62 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.66 HG13 ' HG3' ' A' ' 30' ' ' ARG . 2.6 t -147.24 118.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.668 HG11 ' OD2' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -119.33 146.93 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.756 ' HB2' HD11 ' A' ' 91' ' ' LEU . 17.0 t -115.2 123.32 48.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 160.5 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 127' ' ' GLY . 11.0 p -107.25 108.72 20.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 126' ' ' SER . . . -41.7 165.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.72 15.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.1 t -173.87 130.41 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 m 52.74 96.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.971 . . . . . . . . 0 0 . 1 stop_ save_